1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide

C16H22N4O3 — CID 3485288

IUPAC1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCC(=O)NCc2ccccn2)CC1
InChIInChI=1S/C16H22N4O3/c17-16(23)12-6-9-20(10-7-12)15(22)5-4-14(21)19-11-13-3-1-2-8-18-13/h1-3,8,12H,4-7,9-11H2,(H2,17,23)(H,19,21)
InChIKeyAMAFGHMZKSEYSO-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.20
Rot. Bonds6

About 1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide

1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide (PubChem CID 3485288) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide
PubChem CID3485288
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCC(=O)NCc2ccccn2)CC1
InChIInChI=1S/C16H22N4O3/c17-16(23)12-6-9-20(10-7-12)15(22)5-4-14(21)19-11-13-3-1-2-8-18-13/h1-3,8,12H,4-7,9-11H2,(H2,17,23)(H,19,21)
InChIKeyAMAFGHMZKSEYSO-UHFFFAOYSA-N
XLogP0.20
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide
CID 108944337
1-[3-(2-methylpyrazol-3-yl)propanoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 77084514
(3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95563492
4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide
CID 43433255
1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 109014316
3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 28654758
2-(4-aminopiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 79333901
1-N-cyclohexyl-4-N-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 113004461
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162

Frequently Asked Questions

What is the IUPAC name of 1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide (CID 3485288) is 1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCC(=O)NCc2ccccn2)CC1.
What is the InChIKey of 1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide?
The InChIKey is AMAFGHMZKSEYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c17-16(23)12-6-9-20(10-7-12)15(22)5-4-14(21)19-11-13-3-1-2-8-18-13/h1-3,8,12H,4-7,9-11H2,(H2,17,23)(H,19,21).
What are the key properties of 1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide?
1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 3485288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).