1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide

C23H35N3O3 — CID 56538808

IUPAC1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C23H35N3O3/c1-3-15-25(16-4-2)21(27)13-8-14-22(28)26-17-9-10-19(18-26)23(29)24-20-11-6-5-7-12-20/h5-7,11-12,19H,3-4,8-10,13-18H2,1-2H3,(H,24,29)
InChIKeyJKHYYVZJPOBSEH-UHFFFAOYSA-N
MW401.55 g/mol
LogP3.68
Rot. Bonds10

About 1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide

1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 56538808) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide
PubChem CID56538808
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C23H35N3O3/c1-3-15-25(16-4-2)21(27)13-8-14-22(28)26-17-9-10-19(18-26)23(29)24-20-11-6-5-7-12-20/h5-7,11-12,19H,3-4,8-10,13-18H2,1-2H3,(H,24,29)
InChIKeyJKHYYVZJPOBSEH-UHFFFAOYSA-N
XLogP3.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide
CID 24560730
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide
CID 119697874
(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide
CID 27745627
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
CID 24503682
N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553985
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
(3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide
CID 99564667
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide
CID 51928183

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide (CID 56538808) is 1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide is CCCN(CCC)C(=O)CCCC(=O)N1CCCC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is JKHYYVZJPOBSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-3-15-25(16-4-2)21(27)13-8-14-22(28)26-17-9-10-19(18-26)23(29)24-20-11-6-5-7-12-20/h5-7,11-12,19H,3-4,8-10,13-18H2,1-2H3,(H,24,29).
What are the key properties of 1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide?
1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 56538808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).