N,4-di(propan-2-yl)piperazine-2-carboxamide;2-methyl-2-piperidin-1-yl-N-propan-2-ylpropan-1-amine;2-methylpropane;N-propan-2-yl-4-(propan-2-ylamino)piperidine-4-carboxamide

C39H84N8O2 — CID 159200079

IUPACN,4-di(propan-2-yl)piperazine-2-carboxamide;2-methyl-2-piperidin-1-yl-N-propan-2-ylpropan-1-amine;2-methylpropane;N-propan-2-yl-4-(propan-2-ylamino)piperidine-4-carboxamide
SMILESCC(C)C.CC(C)NC(=O)C1(NC(C)C)CCNCC1.CC(C)NC(=O)C1CN(C(C)C)CCN1.CC(C)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C12H25N3O.C12H26N2.C11H23N3O.C4H10/c1-9(2)14-11(16)12(15-10(3)4)5-7-13-8-6-12;1-11(2)13-10-12(3,4)14-8-6-5-7-9-14;1-8(2)13-11(15)10-7-14(9(3)4)6-5-12-10;1-4(2)3/h9-10,13,15H,5-8H2,1-4H3,(H,14,16);11,13H,5-10H2,1-4H3;8-10,12H,5-7H2,1-4H3,(H,13,15);4H,1-3H3
InChIKeyKPEDELGWVPYLCJ-UHFFFAOYSA-N
MW697.16 g/mol
LogP4.74
Rot. Bonds11

About N,4-di(propan-2-yl)piperazine-2-carboxamide;2-methyl-2-piperidin-1-yl-N-propan-2-ylpropan-1-amine;2-methylpropane;N-propan-2-yl-4-(propan-2-ylamino)piperidine-4-carboxamide

N,4-di(propan-2-yl)piperazine-2-carboxamide;2-methyl-2-piperidin-1-yl-N-propan-2-ylpropan-1-amine;2-methylpropane;N-propan-2-yl-4-(propan-2-ylamino)piperidine-4-carboxamide (PubChem CID 159200079) has the molecular formula C39H84N8O2 and a molecular weight of 697.16 g/mol. Its IUPAC name is N,4-di(propan-2-yl)piperazine-2-carboxamide;2-methyl-2-piperidin-1-yl-N-propan-2-ylpropan-1-amine;2-methylpropane;N-propan-2-yl-4-(propan-2-ylamino)piperidine-4-carboxamide.

Molecular Properties

Compound NameN,4-di(propan-2-yl)piperazine-2-carboxamide;2-methyl-2-piperidin-1-yl-N-propan-2-ylpropan-1-amine;2-methylpropane;N-propan-2-yl-4-(propan-2-ylamino)piperidine-4-carboxamide
PubChem CID159200079
Molecular FormulaC39H84N8O2
Molecular Weight697.16 g/mol
Exact Mass696.67
IUPAC NameN,4-di(propan-2-yl)piperazine-2-carboxamide;2-methyl-2-piperidin-1-yl-N-propan-2-ylpropan-1-amine;2-methylpropane;N-propan-2-yl-4-(propan-2-ylamino)piperidine-4-carboxamide
SMILESCC(C)C.CC(C)NC(=O)C1(NC(C)C)CCNCC1.CC(C)NC(=O)C1CN(C(C)C)CCN1.CC(C)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C12H25N3O.C12H26N2.C11H23N3O.C4H10/c1-9(2)14-11(16)12(15-10(3)4)5-7-13-8-6-12;1-11(2)13-10-12(3,4)14-8-6-5-7-9-14;1-8(2)13-11(15)10-7-14(9(3)4)6-5-12-10;1-4(2)3/h9-10,13,15H,5-8H2,1-4H3,(H,14,16);11,13H,5-10H2,1-4H3;8-10,12H,5-7H2,1-4H3,(H,13,15);4H,1-3H3
InChIKeyKPEDELGWVPYLCJ-UHFFFAOYSA-N
XLogP4.74
TPSA112.80 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.16
LogP ≤ 54.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze N,4-di(propan-2-yl)piperazine-2-carboxamide;2-methyl-2-piperidin-1-yl-N-propan-2-ylpropan-1-amine;2-methylpropane;N-propan-2-yl-4-(propan-2-ylamino)piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-[2-(4-Cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one
CID 24791447
(9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 7156157
1-Cyclohexyl-4-{[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetyl}-2-piperazinone
CID 24793171
4-(1-Methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one
CID 134789946
2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 127318912
(3,3-Dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone
CID 123743708
1-(2-Piperazinylacetyl)-4-piperidylpiperidine-4-carboxamide
CID 5298660
(3S)-1-[(2S)-1-[4-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 164988732
4-Isobutyl-3-{2-oxo-2-[4-(1-pyrrolidinylcarbonyl)-1-piperidinyl]ethyl}-2-piperazinone
CID 45171785
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-methyl-N-[3-(1-piperidinyl)propyl]acetamide
CID 45174818
4-(2,2-Dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one
CID 45184982
4-(3-Methylbutyl)-3-{2-[4-(4-morpholinylmethyl)-1-piperidinyl]-2-oxoethyl}-2-piperazinone
CID 45209618

Frequently Asked Questions

What is the IUPAC name of N,4-di(propan-2-yl)piperazine-2-carboxamide;2-methyl-2-piperidin-1-yl-N-propan-2-ylpropan-1-amine;2-methylpropane;N-propan-2-yl-4-(propan-2-ylamino)piperidine-4-carboxamide?
The IUPAC name of N,4-di(propan-2-yl)piperazine-2-carboxamide;2-methyl-2-piperidin-1-yl-N-propan-2-ylpropan-1-amine;2-methylpropane;N-propan-2-yl-4-(propan-2-ylamino)piperidine-4-carboxamide (CID 159200079) is N,4-di(propan-2-yl)piperazine-2-carboxamide;2-methyl-2-piperidin-1-yl-N-propan-2-ylpropan-1-amine;2-methylpropane;N-propan-2-yl-4-(propan-2-ylamino)piperidine-4-carboxamide.
What is the SMILES notation for N,4-di(propan-2-yl)piperazine-2-carboxamide;2-methyl-2-piperidin-1-yl-N-propan-2-ylpropan-1-amine;2-methylpropane;N-propan-2-yl-4-(propan-2-ylamino)piperidine-4-carboxamide?
The canonical SMILES for N,4-di(propan-2-yl)piperazine-2-carboxamide;2-methyl-2-piperidin-1-yl-N-propan-2-ylpropan-1-amine;2-methylpropane;N-propan-2-yl-4-(propan-2-ylamino)piperidine-4-carboxamide is CC(C)C.CC(C)NC(=O)C1(NC(C)C)CCNCC1.CC(C)NC(=O)C1CN(C(C)C)CCN1.CC(C)NCC(C)(C)N1CCCCC1.
What is the InChIKey of N,4-di(propan-2-yl)piperazine-2-carboxamide;2-methyl-2-piperidin-1-yl-N-propan-2-ylpropan-1-amine;2-methylpropane;N-propan-2-yl-4-(propan-2-ylamino)piperidine-4-carboxamide?
The InChIKey is KPEDELGWVPYLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.C12H26N2.C11H23N3O.C4H10/c1-9(2)14-11(16)12(15-10(3)4)5-7-13-8-6-12;1-11(2)13-10-12(3,4)14-8-6-5-7-9-14;1-8(2)13-11(15)10-7-14(9(3)4)6-5-12-10;1-4(2)3/h9-10,13,15H,5-8H2,1-4H3,(H,14,16);11,13H,5-10H2,1-4H3;8-10,12H,5-7H2,1-4H3,(H,13,15);4H,1-3H3.
What are the key properties of N,4-di(propan-2-yl)piperazine-2-carboxamide;2-methyl-2-piperidin-1-yl-N-propan-2-ylpropan-1-amine;2-methylpropane;N-propan-2-yl-4-(propan-2-ylamino)piperidine-4-carboxamide?
N,4-di(propan-2-yl)piperazine-2-carboxamide;2-methyl-2-piperidin-1-yl-N-propan-2-ylpropan-1-amine;2-methylpropane;N-propan-2-yl-4-(propan-2-ylamino)piperidine-4-carboxamide has a molecular weight of 697.16 g/mol, XLogP of 4.74, 11 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-di(propan-2-yl)piperazine-2-carboxamide;2-methyl-2-piperidin-1-yl-N-propan-2-ylpropan-1-amine;2-methylpropane;N-propan-2-yl-4-(propan-2-ylamino)piperidine-4-carboxamide is sourced from PubChem (CID 159200079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).