N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

C23H28N2O2 — CID 55623634

IUPACN-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N(C)Cc3ccccc3C)C2)cc1
InChIInChI=1S/C23H28N2O2/c1-17-10-12-19(13-11-17)23(27)25-14-6-9-21(16-25)22(26)24(3)15-20-8-5-4-7-18(20)2/h4-5,7-8,10-13,21H,6,9,14-16H2,1-3H3
InChIKeyRGYPCRMSTVMFAM-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.81
Rot. Bonds4

About N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 55623634) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID55623634
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N(C)Cc3ccccc3C)C2)cc1
InChIInChI=1S/C23H28N2O2/c1-17-10-12-19(13-11-17)23(27)25-14-6-9-21(16-25)22(26)24(3)15-20-8-5-4-7-18(20)2/h4-5,7-8,10-13,21H,6,9,14-16H2,1-3H3
InChIKeyRGYPCRMSTVMFAM-UHFFFAOYSA-N
XLogP3.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-3-carbonyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43056974
(3R)-1-(4-chlorobenzoyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 41154900
1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 24679712
1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 136524417
(3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide
CID 124507921
N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 120648552
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053389
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218307
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 46592114
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55625221

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 55623634) is N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)N(C)Cc3ccccc3C)C2)cc1.
What is the InChIKey of N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is RGYPCRMSTVMFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17-10-12-19(13-11-17)23(27)25-14-6-9-21(16-25)22(26)24(3)15-20-8-5-4-7-18(20)2/h4-5,7-8,10-13,21H,6,9,14-16H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55623634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).