N-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide

C23H32N4O2 — CID 44761689

IUPACN-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CCCCC1)C1CC=CCC1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H32N4O2/c28-22(25-18-8-2-1-3-9-18)19-10-4-5-11-20(19)23(29)27-16-14-26(15-17-27)21-12-6-7-13-24-21/h4-7,12-13,18-20H,1-3,8-11,14-17H2,(H,25,28)
InChIKeyFTPSVNDXAHZBOA-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.76
Rot. Bonds4

About N-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide

N-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide (PubChem CID 44761689) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide
PubChem CID44761689
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CCCCC1)C1CC=CCC1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H32N4O2/c28-22(25-18-8-2-1-3-9-18)19-10-4-5-11-20(19)23(29)27-16-14-26(15-17-27)21-12-6-7-13-24-21/h4-7,12-13,18-20H,1-3,8-11,14-17H2,(H,25,28)
InChIKeyFTPSVNDXAHZBOA-UHFFFAOYSA-N
XLogP2.76
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42961571
N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138175
methyl 3-phenyl-2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carbonyl]amino]propanoate
CID 44761695
2-amino-N-(1-pyridin-2-ylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 64823326
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
N-cyclopentyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249585
N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146126
5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide
CID 91925573
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 3681923

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide (CID 44761689) is N-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide is O=C(NC1CCCCC1)C1CC=CCC1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is FTPSVNDXAHZBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c28-22(25-18-8-2-1-3-9-18)19-10-4-5-11-20(19)23(29)27-16-14-26(15-17-27)21-12-6-7-13-24-21/h4-7,12-13,18-20H,1-3,8-11,14-17H2,(H,25,28).
What are the key properties of N-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
N-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 44761689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).