N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide

C13H18N4O2 — CID 28709234

IUPACN-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCC(=O)N1CCNCC1)c1cccnc1
InChIInChI=1S/C13H18N4O2/c18-12(17-8-6-14-7-9-17)3-5-16-13(19)11-2-1-4-15-10-11/h1-2,4,10,14H,3,5-9H2,(H,16,19)
InChIKeyVAWFNYASIFQLFN-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.37
Rot. Bonds4

About N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide

N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 28709234) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide
PubChem CID28709234
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCC(=O)N1CCNCC1)c1cccnc1
InChIInChI=1S/C13H18N4O2/c18-12(17-8-6-14-7-9-17)3-5-16-13(19)11-2-1-4-15-10-11/h1-2,4,10,14H,3,5-9H2,(H,16,19)
InChIKeyVAWFNYASIFQLFN-UHFFFAOYSA-N
XLogP-0.37
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709214
N-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide
CID 124977974
N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide
CID 95272247
N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide
CID 119402669
2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709231
N-[4-(1,4-diazepan-1-yl)-4-oxobutyl]benzamide
CID 119418551
N-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 55614190
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
N-[(3,4-dimethylphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 46333160

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide (CID 28709234) is N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide is O=C(NCCC(=O)N1CCNCC1)c1cccnc1.
What is the InChIKey of N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is VAWFNYASIFQLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-12(17-8-6-14-7-9-17)3-5-16-13(19)11-2-1-4-15-10-11/h1-2,4,10,14H,3,5-9H2,(H,16,19).
What are the key properties of N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide?
N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 28709234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).