4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide

C24H31ClN4O — CID 56682756

IUPAC4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(NC(c2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C24H31ClN4O/c25-20-10-8-18(9-11-20)23(19-5-4-14-26-17-19)27-22-12-15-29(16-13-22)24(30)28-21-6-2-1-3-7-21/h4-5,8-11,14,17,21-23,27H,1-3,6-7,12-13,15-16H2,(H,28,30)
InChIKeyHDBLROBNWPJKMF-UHFFFAOYSA-N
MW426.99 g/mol
LogP4.92
Rot. Bonds5

About 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide

4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide (PubChem CID 56682756) has the molecular formula C24H31ClN4O and a molecular weight of 426.99 g/mol. Its IUPAC name is 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide
PubChem CID56682756
Molecular FormulaC24H31ClN4O
Molecular Weight426.99 g/mol
Exact Mass426.22
IUPAC Name4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(NC(c2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C24H31ClN4O/c25-20-10-8-18(9-11-20)23(19-5-4-14-26-17-19)27-22-12-15-29(16-13-22)24(30)28-21-6-2-1-3-7-21/h4-5,8-11,14,17,21-23,27H,1-3,6-7,12-13,15-16H2,(H,28,30)
InChIKeyHDBLROBNWPJKMF-UHFFFAOYSA-N
XLogP4.92
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate
CID 56682752
1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine
CID 56672780
N-[bis(4-chlorophenyl)methyl]cyclohexanamine
CID 97355554
4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide
CID 46100874
N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride
CID 117067004
2-[4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-1,3-thiazole-5-carbonitrile
CID 56669062
3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid
CID 91593351
1-(4-chlorophenyl)-3-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]urea
CID 56676121
N-[(S)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 51589039
N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 51589038
3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide
CID 125167685
ethyl N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]carbamate
CID 56679465

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide?
The IUPAC name of 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide (CID 56682756) is 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCC(NC(c2ccc(Cl)cc2)c2cccnc2)CC1.
What is the InChIKey of 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide?
The InChIKey is HDBLROBNWPJKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O/c25-20-10-8-18(9-11-20)23(19-5-4-14-26-17-19)27-22-12-15-29(16-13-22)24(30)28-21-6-2-1-3-7-21/h4-5,8-11,14,17,21-23,27H,1-3,6-7,12-13,15-16H2,(H,28,30).
What are the key properties of 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide?
4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide has a molecular weight of 426.99 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide is sourced from PubChem (CID 56682756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).