N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide

C22H27ClN4O — CID 113029443

IUPACN-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cn1)C1CCCCC1
InChIInChI=1S/C22H27ClN4O/c23-18-7-4-8-19(15-18)26-11-13-27(14-12-26)20-9-10-21(24-16-20)25-22(28)17-5-2-1-3-6-17/h4,7-10,15-17H,1-3,5-6,11-14H2,(H,24,25,28)
InChIKeySVNRJPRTVFJMLT-UHFFFAOYSA-N
MW398.94 g/mol
LogP4.58
Rot. Bonds4

About N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide

N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide (PubChem CID 113029443) has the molecular formula C22H27ClN4O and a molecular weight of 398.94 g/mol. Its IUPAC name is N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
PubChem CID113029443
Molecular FormulaC22H27ClN4O
Molecular Weight398.94 g/mol
Exact Mass398.19
IUPAC NameN-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cn1)C1CCCCC1
InChIInChI=1S/C22H27ClN4O/c23-18-7-4-8-19(15-18)26-11-13-27(14-12-26)20-9-10-21(24-16-20)25-22(28)17-5-2-1-3-6-17/h4,7-10,15-17H,1-3,5-6,11-14H2,(H,24,25,28)
InChIKeySVNRJPRTVFJMLT-UHFFFAOYSA-N
XLogP4.58
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 84583872
N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide
CID 113043728
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]cyclohexanecarboxamide
CID 113029109
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 75420475
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133359806
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-3-pyridinyl]methanone
CID 109152186
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359811
2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 113024603
N-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60516432
1-(naphthalene-1-carbonyl)-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 71895394

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide (CID 113029443) is N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide is O=C(Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cn1)C1CCCCC1.
What is the InChIKey of N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide?
The InChIKey is SVNRJPRTVFJMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O/c23-18-7-4-8-19(15-18)26-11-13-27(14-12-26)20-9-10-21(24-16-20)25-22(28)17-5-2-1-3-6-17/h4,7-10,15-17H,1-3,5-6,11-14H2,(H,24,25,28).
What are the key properties of N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide?
N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide has a molecular weight of 398.94 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 113029443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).