N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

C24H25ClN4O — CID 53077994

IUPACN-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1cccc(-c2nccc(N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)n2)c1
InChIInChI=1S/C24H25ClN4O/c1-17-3-2-4-20(15-17)23-26-12-9-22(28-23)29-13-10-19(11-14-29)24(30)27-16-18-5-7-21(25)8-6-18/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,27,30)
InChIKeyRYUKHYZBULCTFB-UHFFFAOYSA-N
MW420.94 g/mol
LogP4.64
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 53077994) has the molecular formula C24H25ClN4O and a molecular weight of 420.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID53077994
Molecular FormulaC24H25ClN4O
Molecular Weight420.94 g/mol
Exact Mass420.17
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1cccc(-c2nccc(N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)n2)c1
InChIInChI=1S/C24H25ClN4O/c1-17-3-2-4-20(15-17)23-26-12-9-22(28-23)29-13-10-19(11-14-29)24(30)27-16-18-5-7-21(25)8-6-18/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,27,30)
InChIKeyRYUKHYZBULCTFB-UHFFFAOYSA-N
XLogP4.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methylphenyl)pyrimidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 93068187
1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 53062124
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
N-[(4-chlorophenyl)methyl]-1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]piperidine-4-carboxamide
CID 59447712
N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025243
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53365309
1-(6-chloro-2-methylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356405
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
(3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95055768
N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53033911
N-[(4-methoxyphenyl)methyl]-1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53012087
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078127

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 53077994) is N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide is Cc1cccc(-c2nccc(N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)n2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is RYUKHYZBULCTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O/c1-17-3-2-4-20(15-17)23-26-12-9-22(28-23)29-13-10-19(11-14-29)24(30)27-16-18-5-7-21(25)8-6-18/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,27,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 420.94 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53077994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).