N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide

C18H26N2O2 — CID 87037742

IUPACN-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)N(c2ccccc2)C(C)C)C1
InChIInChI=1S/C18H26N2O2/c1-4-17(21)19-12-8-9-15(13-19)18(22)20(14(2)3)16-10-6-5-7-11-16/h5-7,10-11,14-15H,4,8-9,12-13H2,1-3H3
InChIKeyCBKZOCPXSLKOJG-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.08
Rot. Bonds4

About N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide

N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 87037742) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID87037742
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)N(c2ccccc2)C(C)C)C1
InChIInChI=1S/C18H26N2O2/c1-4-17(21)19-12-8-9-15(13-19)18(22)20(14(2)3)16-10-6-5-7-11-16/h5-7,10-11,14-15H,4,8-9,12-13H2,1-3H3
InChIKeyCBKZOCPXSLKOJG-UHFFFAOYSA-N
XLogP3.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 87021791
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CID 60529728
1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318507
N-butan-2-yl-N-phenylcyclohexanecarboxamide
CID 153425263
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072
2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid
CID 119198387
1-(3-benzoylpiperidin-1-yl)-3-methylbutan-1-one
CID 110394462
N-methyl-1-(2-phenylacetyl)-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide
CID 60586831
(3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide
CID 52523476
1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
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N-(2-hydroxyethyl)-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 110900000

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide (CID 87037742) is N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)N(c2ccccc2)C(C)C)C1.
What is the InChIKey of N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is CBKZOCPXSLKOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-17(21)19-12-8-9-15(13-19)18(22)20(14(2)3)16-10-6-5-7-11-16/h5-7,10-11,14-15H,4,8-9,12-13H2,1-3H3.
What are the key properties of N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide?
N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 87037742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).