1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide

C17H25N3O2 — CID 120830387

IUPAC1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
SMILESCNC(C)CNC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(18-2)12-19-16(21)14-8-10-20(11-9-14)17(22)15-6-4-3-5-7-15/h3-7,13-14,18H,8-12H2,1-2H3,(H,19,21)
InChIKeySZHXPAKLAIDNBY-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.26
Rot. Bonds5

About 1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide

1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide (PubChem CID 120830387) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
PubChem CID120830387
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
SMILESCNC(C)CNC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(18-2)12-19-16(21)14-8-10-20(11-9-14)17(22)15-6-4-3-5-7-15/h3-7,13-14,18H,8-12H2,1-2H3,(H,19,21)
InChIKeySZHXPAKLAIDNBY-UHFFFAOYSA-N
XLogP1.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 110301812
N-[2-(methylamino)propyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 120832856
1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 46384551
1-benzoyl-N-(2-cyclopentyl-2-hydroxyethyl)piperidine-4-carboxamide
CID 71991151
1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride
CID 120831634
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664
(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
CID 119238348
1-N,1-N-dimethyl-4-N-[2-(methylamino)propyl]piperidine-1,4-dicarboxamide
CID 120828598
1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120831343
N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 51153656

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide (CID 120830387) is 1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide is CNC(C)CNC(=O)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide?
The InChIKey is SZHXPAKLAIDNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(18-2)12-19-16(21)14-8-10-20(11-9-14)17(22)15-6-4-3-5-7-15/h3-7,13-14,18H,8-12H2,1-2H3,(H,19,21).
What are the key properties of 1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide?
1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 120830387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).