3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide

C21H26N2O — CID 17102832

IUPAC3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCCCC3C)cc2)cc1C
InChIInChI=1S/C21H26N2O/c1-15-7-8-18(14-16(15)2)21(24)22-19-9-11-20(12-10-19)23-13-5-4-6-17(23)3/h7-12,14,17H,4-6,13H2,1-3H3,(H,22,24)
InChIKeyIQRGQCWIGRWXQQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.93
Rot. Bonds3

About 3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide

3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide (PubChem CID 17102832) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
PubChem CID17102832
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCCCC3C)cc2)cc1C
InChIInChI=1S/C21H26N2O/c1-15-7-8-18(14-16(15)2)21(24)22-19-9-11-20(12-10-19)23-13-5-4-6-17(23)3/h7-12,14,17H,4-6,13H2,1-3H3,(H,22,24)
InChIKeyIQRGQCWIGRWXQQ-UHFFFAOYSA-N
XLogP4.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-nitrobenzamide
CID 40922070
N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]naphthalene-2-carboxamide
CID 40922093
N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide
CID 26018303
2-(3,4-dimethylphenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide
CID 26018394
4-iodo-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 17116461
3,4-dimethyl-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687280
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595860
1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone
CID 43176941
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
3,4-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6957323
3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666698
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide (CID 17102832) is 3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(N3CCCCC3C)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide?
The InChIKey is IQRGQCWIGRWXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15-7-8-18(14-16(15)2)21(24)22-19-9-11-20(12-10-19)23-13-5-4-6-17(23)3/h7-12,14,17H,4-6,13H2,1-3H3,(H,22,24).
What are the key properties of 3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide?
3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide has a molecular weight of 322.45 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 17102832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).