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

C22H33N3O2 — CID 110301812

IUPAC1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCC1CCN(C(C)CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C22H33N3O2/c1-17-8-12-24(13-9-17)18(2)16-23-21(26)19-10-14-25(15-11-19)22(27)20-6-4-3-5-7-20/h3-7,17-19H,8-16H2,1-2H3,(H,23,26)
InChIKeyVBHVDALNTNRUAS-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.78
Rot. Bonds5

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

1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 110301812) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
PubChem CID110301812
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCC1CCN(C(C)CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C22H33N3O2/c1-17-8-12-24(13-9-17)18(2)16-23-21(26)19-10-14-25(15-11-19)22(27)20-6-4-3-5-7-20/h3-7,17-19H,8-16H2,1-2H3,(H,23,26)
InChIKeyVBHVDALNTNRUAS-UHFFFAOYSA-N
XLogP2.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830387
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 46384551
1-benzoyl-N-(2-cyclopentyl-2-hydroxyethyl)piperidine-4-carboxamide
CID 71991151
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664
tert-butyl 4-[2-(4-methylpiperidin-1-yl)propylcarbamoyl]piperidine-1-carboxylate
CID 110620686
(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
CID 119238348
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910
1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 51153656
1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide
CID 113008347
1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 154800157

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide (CID 110301812) is 1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide is CC1CCN(C(C)CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1.
What is the InChIKey of 1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is VBHVDALNTNRUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-17-8-12-24(13-9-17)18(2)16-23-21(26)19-10-14-25(15-11-19)22(27)20-6-4-3-5-7-20/h3-7,17-19H,8-16H2,1-2H3,(H,23,26).
What are the key properties of 1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 110301812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).