1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C21H25N3O2 — CID 46411181

IUPAC1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c25-20(10-9-17-6-2-1-3-7-17)24-14-11-18(12-15-24)21(26)23-16-19-8-4-5-13-22-19/h1-8,13,18H,9-12,14-16H2,(H,23,26)
InChIKeyCGJIIXQIVUJSEA-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.57
Rot. Bonds6

About 1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 46411181) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID46411181
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c25-20(10-9-17-6-2-1-3-7-17)24-14-11-18(12-15-24)21(26)23-16-19-8-4-5-13-22-19/h1-8,13,18H,9-12,14-16H2,(H,23,26)
InChIKeyCGJIIXQIVUJSEA-UHFFFAOYSA-N
XLogP2.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-methylpyrazol-3-yl)propanoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 77084514
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
N-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46410497
1-N-cyclohexyl-4-N-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 113004461
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide
CID 3485288
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide
CID 31588009
1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3472038
(3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95563492
2-[2-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242488
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 46411181) is 1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccccn1)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is CGJIIXQIVUJSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(10-9-17-6-2-1-3-7-17)24-14-11-18(12-15-24)21(26)23-16-19-8-4-5-13-22-19/h1-8,13,18H,9-12,14-16H2,(H,23,26).
What are the key properties of 1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46411181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).