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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).