[1-(3-methylbutyl)piperidin-4-yl] N-propan-2-ylcarbamate;1-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylurea;1-(3-methylbutyl)-4-propan-2-yloxypiperidine;1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine;1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide;propan-2-yl 4-(3-methylbutyl)piperazine-1-carboxylate;propan-2-yl N-[1-(3-methylbutyl)piperidin-4-yl]carbamate

C109H222N16O10 — CID 167677178

IUPAC[1-(3-methylbutyl)piperidin-4-yl] N-propan-2-ylcarbamate;1-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylurea;1-(3-methylbutyl)-4-propan-2-yloxypiperidine;1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine;1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide;propan-2-yl 4-(3-methylbutyl)piperazine-1-carboxylate;propan-2-yl N-[1-(3-methylbutyl)piperidin-4-yl]carbamate
SMILESCC(C)CCN1CCC(C(=O)NC(C)C)CC1.CC(C)CCN1CCC(NC(=O)C(C)C)CC1.CC(C)CCN1CCC(NC(=O)NC(C)C)CC1.CC(C)CCN1CCC(NC(=O)OC(C)C)CC1.CC(C)CCN1CCC(NC(C)C)CC1.CC(C)CCN1CCC(OC(=O)NC(C)C)CC1.CC(C)CCN1CCC(OC(C)C)CC1.CC(C)CCN1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C14H29N3O.2C14H28N2O2.2C14H28N2O.C13H26N2O2.C13H28N2.C13H27NO/c1-11(2)5-8-17-9-6-13(7-10-17)16-14(18)15-12(3)4;1-11(2)5-8-16-9-6-13(7-10-16)15-14(17)18-12(3)4;1-11(2)5-8-16-9-6-13(7-10-16)18-14(17)15-12(3)4;1-11(2)5-8-16-9-6-13(7-10-16)14(17)15-12(3)4;1-11(2)5-8-16-9-6-13(7-10-16)15-14(17)12(3)4;1-11(2)5-6-14-7-9-15(10-8-14)13(16)17-12(3)4;1-11(2)5-8-15-9-6-13(7-10-15)14-12(3)4;1-11(2)5-8-14-9-6-13(7-10-14)15-12(3)4/h11-13H,5-10H2,1-4H3,(H2,15,16,18);2*11-13H,5-10H2,1-4H3,(H,15,17);2*11-13H,5-10H2,1-4H3,(H,15,17);11-12H,5-10H2,1-4H3;11-14H,5-10H2,1-4H3;11-13H,5-10H2,1-4H3
InChIKeyUZFQFFMXUJTBBD-UHFFFAOYSA-N
MW1917.08 g/mol
LogP19.62
Rot. Bonds39

About [1-(3-methylbutyl)piperidin-4-yl] N-propan-2-ylcarbamate;1-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylurea;1-(3-methylbutyl)-4-propan-2-yloxypiperidine;1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine;1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide;propan-2-yl 4-(3-methylbutyl)piperazine-1-carboxylate;propan-2-yl N-[1-(3-methylbutyl)piperidin-4-yl]carbamate

[1-(3-methylbutyl)piperidin-4-yl] N-propan-2-ylcarbamate;1-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylurea;1-(3-methylbutyl)-4-propan-2-yloxypiperidine;1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine;1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide;propan-2-yl 4-(3-methylbutyl)piperazine-1-carboxylate;propan-2-yl N-[1-(3-methylbutyl)piperidin-4-yl]carbamate (PubChem CID 167677178) has the molecular formula C109H222N16O10 and a molecular weight of 1917.08 g/mol. Its IUPAC name is [1-(3-methylbutyl)piperidin-4-yl] N-propan-2-ylcarbamate;1-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylurea;1-(3-methylbutyl)-4-propan-2-yloxypiperidine;1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine;1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide;propan-2-yl 4-(3-methylbutyl)piperazine-1-carboxylate;propan-2-yl N-[1-(3-methylbutyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Name[1-(3-methylbutyl)piperidin-4-yl] N-propan-2-ylcarbamate;1-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylurea;1-(3-methylbutyl)-4-propan-2-yloxypiperidine;1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine;1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide;propan-2-yl 4-(3-methylbutyl)piperazine-1-carboxylate;propan-2-yl N-[1-(3-methylbutyl)piperidin-4-yl]carbamate
PubChem CID167677178
Molecular FormulaC109H222N16O10
Molecular Weight1917.08 g/mol
Exact Mass1915.74
IUPAC Name[1-(3-methylbutyl)piperidin-4-yl] N-propan-2-ylcarbamate;1-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylurea;1-(3-methylbutyl)-4-propan-2-yloxypiperidine;1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine;1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide;propan-2-yl 4-(3-methylbutyl)piperazine-1-carboxylate;propan-2-yl N-[1-(3-methylbutyl)piperidin-4-yl]carbamate
SMILESCC(C)CCN1CCC(C(=O)NC(C)C)CC1.CC(C)CCN1CCC(NC(=O)C(C)C)CC1.CC(C)CCN1CCC(NC(=O)NC(C)C)CC1.CC(C)CCN1CCC(NC(=O)OC(C)C)CC1.CC(C)CCN1CCC(NC(C)C)CC1.CC(C)CCN1CCC(OC(=O)NC(C)C)CC1.CC(C)CCN1CCC(OC(C)C)CC1.CC(C)CCN1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C14H29N3O.2C14H28N2O2.2C14H28N2O.C13H26N2O2.C13H28N2.C13H27NO/c1-11(2)5-8-17-9-6-13(7-10-17)16-14(18)15-12(3)4;1-11(2)5-8-16-9-6-13(7-10-16)15-14(17)18-12(3)4;1-11(2)5-8-16-9-6-13(7-10-16)18-14(17)15-12(3)4;1-11(2)5-8-16-9-6-13(7-10-16)14(17)15-12(3)4;1-11(2)5-8-16-9-6-13(7-10-16)15-14(17)12(3)4;1-11(2)5-6-14-7-9-15(10-8-14)13(16)17-12(3)4;1-11(2)5-8-15-9-6-13(7-10-15)14-12(3)4;1-11(2)5-8-14-9-6-13(7-10-14)15-12(3)4/h11-13H,5-10H2,1-4H3,(H2,15,16,18);2*11-13H,5-10H2,1-4H3,(H,15,17);2*11-13H,5-10H2,1-4H3,(H,15,17);11-12H,5-10H2,1-4H3;11-14H,5-10H2,1-4H3;11-13H,5-10H2,1-4H3
InChIKeyUZFQFFMXUJTBBD-UHFFFAOYSA-N
XLogP19.62
TPSA252.71 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds39
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001917.08
LogP ≤ 519.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [1-(3-methylbutyl)piperidin-4-yl] N-propan-2-ylcarbamate;1-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylurea;1-(3-methylbutyl)-4-propan-2-yloxypiperidine;1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine;1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide;propan-2-yl 4-(3-methylbutyl)piperazine-1-carboxylate;propan-2-yl N-[1-(3-methylbutyl)piperidin-4-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbutyl)piperidin-4-yl] N-propan-2-ylcarbamate;1-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylurea;1-(3-methylbutyl)-4-propan-2-yloxypiperidine;1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine;1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide;propan-2-yl 4-(3-methylbutyl)piperazine-1-carboxylate;propan-2-yl N-[1-(3-methylbutyl)piperidin-4-yl]carbamate?
The IUPAC name of [1-(3-methylbutyl)piperidin-4-yl] N-propan-2-ylcarbamate;1-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylurea;1-(3-methylbutyl)-4-propan-2-yloxypiperidine;1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine;1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide;propan-2-yl 4-(3-methylbutyl)piperazine-1-carboxylate;propan-2-yl N-[1-(3-methylbutyl)piperidin-4-yl]carbamate (CID 167677178) is [1-(3-methylbutyl)piperidin-4-yl] N-propan-2-ylcarbamate;1-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylurea;1-(3-methylbutyl)-4-propan-2-yloxypiperidine;1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine;1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide;propan-2-yl 4-(3-methylbutyl)piperazine-1-carboxylate;propan-2-yl N-[1-(3-methylbutyl)piperidin-4-yl]carbamate.
What is the SMILES notation for [1-(3-methylbutyl)piperidin-4-yl] N-propan-2-ylcarbamate;1-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylurea;1-(3-methylbutyl)-4-propan-2-yloxypiperidine;1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine;1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide;propan-2-yl 4-(3-methylbutyl)piperazine-1-carboxylate;propan-2-yl N-[1-(3-methylbutyl)piperidin-4-yl]carbamate?
The canonical SMILES for [1-(3-methylbutyl)piperidin-4-yl] N-propan-2-ylcarbamate;1-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylurea;1-(3-methylbutyl)-4-propan-2-yloxypiperidine;1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine;1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide;propan-2-yl 4-(3-methylbutyl)piperazine-1-carboxylate;propan-2-yl N-[1-(3-methylbutyl)piperidin-4-yl]carbamate is CC(C)CCN1CCC(C(=O)NC(C)C)CC1.CC(C)CCN1CCC(NC(=O)C(C)C)CC1.CC(C)CCN1CCC(NC(=O)NC(C)C)CC1.CC(C)CCN1CCC(NC(=O)OC(C)C)CC1.CC(C)CCN1CCC(NC(C)C)CC1.CC(C)CCN1CCC(OC(=O)NC(C)C)CC1.CC(C)CCN1CCC(OC(C)C)CC1.CC(C)CCN1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of [1-(3-methylbutyl)piperidin-4-yl] N-propan-2-ylcarbamate;1-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylurea;1-(3-methylbutyl)-4-propan-2-yloxypiperidine;1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine;1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide;propan-2-yl 4-(3-methylbutyl)piperazine-1-carboxylate;propan-2-yl N-[1-(3-methylbutyl)piperidin-4-yl]carbamate?
The InChIKey is UZFQFFMXUJTBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.2C14H28N2O2.2C14H28N2O.C13H26N2O2.C13H28N2.C13H27NO/c1-11(2)5-8-17-9-6-13(7-10-17)16-14(18)15-12(3)4;1-11(2)5-8-16-9-6-13(7-10-16)15-14(17)18-12(3)4;1-11(2)5-8-16-9-6-13(7-10-16)18-14(17)15-12(3)4;1-11(2)5-8-16-9-6-13(7-10-16)14(17)15-12(3)4;1-11(2)5-8-16-9-6-13(7-10-16)15-14(17)12(3)4;1-11(2)5-6-14-7-9-15(10-8-14)13(16)17-12(3)4;1-11(2)5-8-15-9-6-13(7-10-15)14-12(3)4;1-11(2)5-8-14-9-6-13(7-10-14)15-12(3)4/h11-13H,5-10H2,1-4H3,(H2,15,16,18);2*11-13H,5-10H2,1-4H3,(H,15,17);2*11-13H,5-10H2,1-4H3,(H,15,17);11-12H,5-10H2,1-4H3;11-14H,5-10H2,1-4H3;11-13H,5-10H2,1-4H3.
What are the key properties of [1-(3-methylbutyl)piperidin-4-yl] N-propan-2-ylcarbamate;1-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylurea;1-(3-methylbutyl)-4-propan-2-yloxypiperidine;1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine;1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide;propan-2-yl 4-(3-methylbutyl)piperazine-1-carboxylate;propan-2-yl N-[1-(3-methylbutyl)piperidin-4-yl]carbamate?
[1-(3-methylbutyl)piperidin-4-yl] N-propan-2-ylcarbamate;1-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylurea;1-(3-methylbutyl)-4-propan-2-yloxypiperidine;1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine;1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide;propan-2-yl 4-(3-methylbutyl)piperazine-1-carboxylate;propan-2-yl N-[1-(3-methylbutyl)piperidin-4-yl]carbamate has a molecular weight of 1917.08 g/mol, XLogP of 19.62, 39 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutyl)piperidin-4-yl] N-propan-2-ylcarbamate;1-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylurea;1-(3-methylbutyl)-4-propan-2-yloxypiperidine;1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine;1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide;2-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide;propan-2-yl 4-(3-methylbutyl)piperazine-1-carboxylate;propan-2-yl N-[1-(3-methylbutyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 167677178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).