3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

C16H23N3O2 — CID 42928143

IUPAC3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-12(2)17-16(21)19-10-6-7-13(11-19)15(20)18-14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyBSXXOKXHXSTNHA-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.46
Rot. Bonds3

About 3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (PubChem CID 42928143) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
PubChem CID42928143
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-12(2)17-16(21)19-10-6-7-13(11-19)15(20)18-14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyBSXXOKXHXSTNHA-UHFFFAOYSA-N
XLogP2.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide
CID 51727369
1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide
CID 119275697
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
(3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 51941064
1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide
CID 119697874
2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate
CID 68757198
(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide
CID 51928183
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate
CID 24503608

Frequently Asked Questions

What is the IUPAC name of 3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (CID 42928143) is 3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is CC(C)NC(=O)N1CCCC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The InChIKey is BSXXOKXHXSTNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)17-16(21)19-10-6-7-13(11-19)15(20)18-14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 42928143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).