1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide

C23H29ClN4O — CID 122352808

IUPAC1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1cc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C23H29ClN4O/c1-17-15-20(27-22(26-17)28-13-5-2-6-14-28)16-25-21(29)23(11-3-4-12-23)18-7-9-19(24)10-8-18/h7-10,15H,2-6,11-14,16H2,1H3,(H,25,29)
InChIKeyVVANOCSBXMWNBA-UHFFFAOYSA-N
MW412.97 g/mol
LogP4.56
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 122352808) has the molecular formula C23H29ClN4O and a molecular weight of 412.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
PubChem CID122352808
Molecular FormulaC23H29ClN4O
Molecular Weight412.97 g/mol
Exact Mass412.20
IUPAC Name1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1cc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C23H29ClN4O/c1-17-15-20(27-22(26-17)28-13-5-2-6-14-28)16-25-21(29)23(11-3-4-12-23)18-7-9-19(24)10-8-18/h7-10,15H,2-6,11-14,16H2,1H3,(H,25,29)
InChIKeyVVANOCSBXMWNBA-UHFFFAOYSA-N
XLogP4.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.97
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 122351982
2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352644
1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide
CID 122356582
[1-(4-chlorophenyl)cyclopentyl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 122346119
2-(2-chlorophenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352355
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122352828
1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352687
5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 72718310
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
3,3,3-trifluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]propanamide
CID 122352907
2-(4-methoxyphenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 72718286
3-cyclohexyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide
CID 122352211

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide (CID 122352808) is 1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide is Cc1cc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is VVANOCSBXMWNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O/c1-17-15-20(27-22(26-17)28-13-5-2-6-14-28)16-25-21(29)23(11-3-4-12-23)18-7-9-19(24)10-8-18/h7-10,15H,2-6,11-14,16H2,1H3,(H,25,29).
What are the key properties of 1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 412.97 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 122352808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).