1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide

C23H29N3O2 — CID 136524441

IUPAC1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCN(C)Cc1cccc(CNC(=O)C2CCCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C23H29N3O2/c1-25(2)16-19-9-6-8-18(14-19)15-24-22(27)21-12-7-13-26(17-21)23(28)20-10-4-3-5-11-20/h3-6,8-11,14,21H,7,12-13,15-17H2,1-2H3,(H,24,27)
InChIKeyKLEJQOOHMYOXPH-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.92
Rot. Bonds6

About 1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide

1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 136524441) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID136524441
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCN(C)Cc1cccc(CNC(=O)C2CCCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C23H29N3O2/c1-25(2)16-19-9-6-8-18(14-19)15-24-22(27)21-12-7-13-26(17-21)23(28)20-10-4-3-5-11-20/h3-6,8-11,14,21H,7,12-13,15-17H2,1-2H3,(H,24,27)
InChIKeyKLEJQOOHMYOXPH-UHFFFAOYSA-N
XLogP2.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46481195
(3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 94817629
N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 50829419
[3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575046
N-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 50830133
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
(3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 38262955
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
[3-[(dimethylamino)methyl]phenyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612772
1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 55794251
N-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 42922904

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide (CID 136524441) is 1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide is CN(C)Cc1cccc(CNC(=O)C2CCCN(C(=O)c3ccccc3)C2)c1.
What is the InChIKey of 1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is KLEJQOOHMYOXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-25(2)16-19-9-6-8-18(14-19)15-24-22(27)21-12-7-13-26(17-21)23(28)20-10-4-3-5-11-20/h3-6,8-11,14,21H,7,12-13,15-17H2,1-2H3,(H,24,27).
What are the key properties of 1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide?
1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 136524441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).