1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide

C16H22N2O2 — CID 110350748

IUPAC1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C16H22N2O2/c1-11-4-5-14(10-12(11)2)16(20)18-8-6-13(7-9-18)15(19)17-3/h4-5,10,13H,6-9H2,1-3H3,(H,17,19)
InChIKeyQYGFERZOFGIENL-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.90
Rot. Bonds2

About 1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide

1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide (PubChem CID 110350748) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
PubChem CID110350748
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C16H22N2O2/c1-11-4-5-14(10-12(11)2)16(20)18-8-6-13(7-9-18)15(19)17-3/h4-5,10,13H,6-9H2,1-3H3,(H,17,19)
InChIKeyQYGFERZOFGIENL-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113003438
3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 61440069
1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006126
1-(3,4-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006649
N-(4-chloro-2-methylphenyl)-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113007282
1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide
CID 103734766
1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 46576371
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113005012
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide (CID 110350748) is 1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of 1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is QYGFERZOFGIENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-4-5-14(10-12(11)2)16(20)18-8-6-13(7-9-18)15(19)17-3/h4-5,10,13H,6-9H2,1-3H3,(H,17,19).
What are the key properties of 1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide?
1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 110350748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).