tert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate

C20H37N3O4 — CID 134515075

IUPACtert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate
SMILESCC(C)N1CCC(C)(NC(=O)C2(NC(=O)OC(C)(C)C)CCOCC2)CC1
InChIInChI=1S/C20H37N3O4/c1-15(2)23-11-7-19(6,8-12-23)21-16(24)20(9-13-26-14-10-20)22-17(25)27-18(3,4)5/h15H,7-14H2,1-6H3,(H,21,24)(H,22,25)
InChIKeyUVRPBUXXXIHOBQ-UHFFFAOYSA-N
MW383.53 g/mol
LogP2.44
Rot. Bonds4

About tert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate

tert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate (PubChem CID 134515075) has the molecular formula C20H37N3O4 and a molecular weight of 383.53 g/mol. Its IUPAC name is tert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate
PubChem CID134515075
Molecular FormulaC20H37N3O4
Molecular Weight383.53 g/mol
Exact Mass383.28
IUPAC Nametert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate
SMILESCC(C)N1CCC(C)(NC(=O)C2(NC(=O)OC(C)(C)C)CCOCC2)CC1
InChIInChI=1S/C20H37N3O4/c1-15(2)23-11-7-19(6,8-12-23)21-16(24)20(9-13-26-14-10-20)22-17(25)27-18(3,4)5/h15H,7-14H2,1-6H3,(H,21,24)(H,22,25)
InChIKeyUVRPBUXXXIHOBQ-UHFFFAOYSA-N
XLogP2.44
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate
CID 134435769
chloromethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylpiperidine-4-carboxylate
CID 165440847
3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
CID 45026943
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate
CID 67520206
tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane
CID 142326878
tert-butyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 67240999
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
methyl 4-[1-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carbonyl]amino]cyclopropyl]benzoate
CID 163364914
tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate
CID 135177659
tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate
CID 174499135
tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate
CID 134505512
tert-butyl N-[4-(1-hydroxyethyl)oxepan-4-yl]carbamate
CID 170203824

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate (CID 134515075) is tert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate is CC(C)N1CCC(C)(NC(=O)C2(NC(=O)OC(C)(C)C)CCOCC2)CC1.
What is the InChIKey of tert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate?
The InChIKey is UVRPBUXXXIHOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O4/c1-15(2)23-11-7-19(6,8-12-23)21-16(24)20(9-13-26-14-10-20)22-17(25)27-18(3,4)5/h15H,7-14H2,1-6H3,(H,21,24)(H,22,25).
What are the key properties of tert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate?
tert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate has a molecular weight of 383.53 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate is sourced from PubChem (CID 134515075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).