N-(4-chloro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

C18H21ClN4O — CID 53102099

IUPACN-(4-chloro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)n1
InChIInChI=1S/C18H21ClN4O/c1-12-11-15(19)3-4-16(12)22-17(24)14-6-9-23(10-7-14)18-20-8-5-13(2)21-18/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,22,24)
InChIKeyMZGKMDWXEPTXSA-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.60
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

N-(4-chloro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 53102099) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID53102099
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-(4-chloro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)n1
InChIInChI=1S/C18H21ClN4O/c1-12-11-15(19)3-4-16(12)22-17(24)14-6-9-23(10-7-14)18-20-8-5-13(2)21-18/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,22,24)
InChIKeyMZGKMDWXEPTXSA-UHFFFAOYSA-N
XLogP3.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223204
N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027098
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452692
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 109150231
N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021349
2-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334377
N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322360
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102218
N-(4-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 113007277
N-(4-chloro-2-methylphenyl)-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113007282
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921571
N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222631

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 53102099) is N-(4-chloro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1ccnc(N2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)n1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is MZGKMDWXEPTXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-12-11-15(19)3-4-16(12)22-17(24)14-6-9-23(10-7-14)18-20-8-5-13(2)21-18/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,22,24).
What are the key properties of N-(4-chloro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53102099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).