2-oxo-6-(3-oxo-3-piperidin-1-ylpropyl)-3H-1,3-benzoxazole-4-carboxamide

C16H19N3O4 — CID 21102062

IUPAC2-oxo-6-(3-oxo-3-piperidin-1-ylpropyl)-3H-1,3-benzoxazole-4-carboxamide
SMILESNC(=O)c1cc(CCC(=O)N2CCCCC2)cc2oc(=O)[nH]c12
InChIInChI=1S/C16H19N3O4/c17-15(21)11-8-10(9-12-14(11)18-16(22)23-12)4-5-13(20)19-6-2-1-3-7-19/h8-9H,1-7H2,(H2,17,21)(H,18,22)
InChIKeyIWUKTZUAPNBUCC-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.17
Rot. Bonds4

About 2-oxo-6-(3-oxo-3-piperidin-1-ylpropyl)-3H-1,3-benzoxazole-4-carboxamide

2-oxo-6-(3-oxo-3-piperidin-1-ylpropyl)-3H-1,3-benzoxazole-4-carboxamide (PubChem CID 21102062) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-oxo-6-(3-oxo-3-piperidin-1-ylpropyl)-3H-1,3-benzoxazole-4-carboxamide.

Molecular Properties

Compound Name2-oxo-6-(3-oxo-3-piperidin-1-ylpropyl)-3H-1,3-benzoxazole-4-carboxamide
PubChem CID21102062
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-oxo-6-(3-oxo-3-piperidin-1-ylpropyl)-3H-1,3-benzoxazole-4-carboxamide
SMILESNC(=O)c1cc(CCC(=O)N2CCCCC2)cc2oc(=O)[nH]c12
InChIInChI=1S/C16H19N3O4/c17-15(21)11-8-10(9-12-14(11)18-16(22)23-12)4-5-13(20)19-6-2-1-3-7-19/h8-9H,1-7H2,(H2,17,21)(H,18,22)
InChIKeyIWUKTZUAPNBUCC-UHFFFAOYSA-N
XLogP1.17
TPSA109.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one
CID 110390420
3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one
CID 115104716
2-(4-oxo-4-piperidin-1-ylbutyl)benzamide
CID 173169536
4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide
CID 21102082
5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one
CID 110331696
6-(4-butanoylpiperazine-1-carbonyl)-3H-1,3-benzoxazol-2-one
CID 110400115
3-(3-amino-4-piperidin-1-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070972
6-[[7-[3-(3,5-dichlorophenyl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]amino]-3H-1,3-benzoxazol-2-one
CID 90019702
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one
CID 110390433
3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
CID 145472486
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 19009076
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-(3-oxo-3-piperidin-1-ylpropyl)-3H-1,3-benzoxazole-4-carboxamide?
The IUPAC name of 2-oxo-6-(3-oxo-3-piperidin-1-ylpropyl)-3H-1,3-benzoxazole-4-carboxamide (CID 21102062) is 2-oxo-6-(3-oxo-3-piperidin-1-ylpropyl)-3H-1,3-benzoxazole-4-carboxamide.
What is the SMILES notation for 2-oxo-6-(3-oxo-3-piperidin-1-ylpropyl)-3H-1,3-benzoxazole-4-carboxamide?
The canonical SMILES for 2-oxo-6-(3-oxo-3-piperidin-1-ylpropyl)-3H-1,3-benzoxazole-4-carboxamide is NC(=O)c1cc(CCC(=O)N2CCCCC2)cc2oc(=O)[nH]c12.
What is the InChIKey of 2-oxo-6-(3-oxo-3-piperidin-1-ylpropyl)-3H-1,3-benzoxazole-4-carboxamide?
The InChIKey is IWUKTZUAPNBUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c17-15(21)11-8-10(9-12-14(11)18-16(22)23-12)4-5-13(20)19-6-2-1-3-7-19/h8-9H,1-7H2,(H2,17,21)(H,18,22).
What are the key properties of 2-oxo-6-(3-oxo-3-piperidin-1-ylpropyl)-3H-1,3-benzoxazole-4-carboxamide?
2-oxo-6-(3-oxo-3-piperidin-1-ylpropyl)-3H-1,3-benzoxazole-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-(3-oxo-3-piperidin-1-ylpropyl)-3H-1,3-benzoxazole-4-carboxamide is sourced from PubChem (CID 21102062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).