N-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide

C10H13N3O2 — CID 62491246

IUPACN-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide
SMILESO=C1CCC(NC(=O)c2ccc[nH]2)CN1
InChIInChI=1S/C10H13N3O2/c14-9-4-3-7(6-12-9)13-10(15)8-2-1-5-11-8/h1-2,5,7,11H,3-4,6H2,(H,12,14)(H,13,15)
InChIKeyCHQSNRCHWCXLIR-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.02
Rot. Bonds2

About N-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide

N-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide (PubChem CID 62491246) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide
PubChem CID62491246
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide
SMILESO=C1CCC(NC(=O)c2ccc[nH]2)CN1
InChIInChI=1S/C10H13N3O2/c14-9-4-3-7(6-12-9)13-10(15)8-2-1-5-11-8/h1-2,5,7,11H,3-4,6H2,(H,12,14)(H,13,15)
InChIKeyCHQSNRCHWCXLIR-UHFFFAOYSA-N
XLogP0.02
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-N-(6-oxopiperidin-3-yl)-1H-pyridine-3-carboxamide
CID 60616083
N-(6-oxopiperidin-3-yl)-1H-pyrazole-5-carboxamide
CID 62490219
N-(azetidin-3-yl)-1H-pyrrole-2-carboxamide
CID 66187212
N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
CID 43393266
2,6-dichloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55246624
N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 62492175
3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 63662325
N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 62492174
2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192
3,6-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 103429074
3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62491778
N-(6-oxopiperidin-3-yl)naphthalene-1-carboxamide
CID 62491603

Frequently Asked Questions

What is the IUPAC name of N-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide (CID 62491246) is N-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide is O=C1CCC(NC(=O)c2ccc[nH]2)CN1.
What is the InChIKey of N-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is CHQSNRCHWCXLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-9-4-3-7(6-12-9)13-10(15)8-2-1-5-11-8/h1-2,5,7,11H,3-4,6H2,(H,12,14)(H,13,15).
What are the key properties of N-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide?
N-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 207.23 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 62491246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).