N-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide

C21H34N4O — CID 86953620

IUPACN-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
SMILESCC(C)C1CCCCC1NC(=O)N1CCN(C(C)c2cccnc2)CC1
InChIInChI=1S/C21H34N4O/c1-16(2)19-8-4-5-9-20(19)23-21(26)25-13-11-24(12-14-25)17(3)18-7-6-10-22-15-18/h6-7,10,15-17,19-20H,4-5,8-9,11-14H2,1-3H3,(H,23,26)
InChIKeySOLLARKRYWQUQB-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.68
Rot. Bonds4

About N-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide

N-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide (PubChem CID 86953620) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is N-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
PubChem CID86953620
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC NameN-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
SMILESCC(C)C1CCCCC1NC(=O)N1CCN(C(C)c2cccnc2)CC1
InChIInChI=1S/C21H34N4O/c1-16(2)19-8-4-5-9-20(19)23-21(26)25-13-11-24(12-14-25)17(3)18-7-6-10-22-15-18/h6-7,10,15-17,19-20H,4-5,8-9,11-14H2,1-3H3,(H,23,26)
InChIKeySOLLARKRYWQUQB-UHFFFAOYSA-N
XLogP3.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide with MolForge

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Related Compounds

2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
[4-(1-pyridin-3-ylethyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 122081611
4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
CID 96549824
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
N-(4,6-dimethyl-2-pyridinyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
CID 86793381
N-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
CID 96549815
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 119903322
(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903305
(1-aminocyclohexyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903354
2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol
CID 81404938
furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 60548232

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide (CID 86953620) is N-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide is CC(C)C1CCCCC1NC(=O)N1CCN(C(C)c2cccnc2)CC1.
What is the InChIKey of N-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide?
The InChIKey is SOLLARKRYWQUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-16(2)19-8-4-5-9-20(19)23-21(26)25-13-11-24(12-14-25)17(3)18-7-6-10-22-15-18/h6-7,10,15-17,19-20H,4-5,8-9,11-14H2,1-3H3,(H,23,26).
What are the key properties of N-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide?
N-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 86953620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).