3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide

C21H26N2O — CID 45155327

IUPAC3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
SMILESCc1cccc(C(=O)NCC(c2ccccc2)N2CCCCC2)c1
InChIInChI=1S/C21H26N2O/c1-17-9-8-12-19(15-17)21(24)22-16-20(18-10-4-2-5-11-18)23-13-6-3-7-14-23/h2,4-5,8-12,15,20H,3,6-7,13-14,16H2,1H3,(H,22,24)
InChIKeyIZCCIKREPBZGQD-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.95
Rot. Bonds5

About 3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide

3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide (PubChem CID 45155327) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
PubChem CID45155327
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
SMILESCc1cccc(C(=O)NCC(c2ccccc2)N2CCCCC2)c1
InChIInChI=1S/C21H26N2O/c1-17-9-8-12-19(15-17)21(24)22-16-20(18-10-4-2-5-11-18)23-13-6-3-7-14-23/h2,4-5,8-12,15,20H,3,6-7,13-14,16H2,1H3,(H,22,24)
InChIKeyIZCCIKREPBZGQD-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43842823
N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide
CID 35579010
3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504560
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 112505140
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011556
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-ethoxybenzamide
CID 34954508
3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide (CID 45155327) is 3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide is Cc1cccc(C(=O)NCC(c2ccccc2)N2CCCCC2)c1.
What is the InChIKey of 3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide?
The InChIKey is IZCCIKREPBZGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17-9-8-12-19(15-17)21(24)22-16-20(18-10-4-2-5-11-18)23-13-6-3-7-14-23/h2,4-5,8-12,15,20H,3,6-7,13-14,16H2,1H3,(H,22,24).
What are the key properties of 3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide?
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide has a molecular weight of 322.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 45155327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).