4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide

C13H18N4O2 — CID 110706314

IUPAC4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)NCc2ccncc2)CC1
InChIInChI=1S/C13H18N4O2/c1-11(18)16-6-8-17(9-7-16)13(19)15-10-12-2-4-14-5-3-12/h2-5H,6-10H2,1H3,(H,15,19)
InChIKeyHEPJLEGMNQJZEN-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.46
Rot. Bonds2

About 4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide

4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 110706314) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID110706314
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)NCc2ccncc2)CC1
InChIInChI=1S/C13H18N4O2/c1-11(18)16-6-8-17(9-7-16)13(19)15-10-12-2-4-14-5-3-12/h2-5H,6-10H2,1H3,(H,15,19)
InChIKeyHEPJLEGMNQJZEN-UHFFFAOYSA-N
XLogP0.46
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 62310705
4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113104600
4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706346
4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 86912557
methyl 4-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]benzoate
CID 113108763
4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108721
4-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108746
4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108791
N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86831395
N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113108755
3-methyl-1-(pyridin-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 63136006

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide (CID 110706314) is 4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)NCc2ccncc2)CC1.
What is the InChIKey of 4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is HEPJLEGMNQJZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-11(18)16-6-8-17(9-7-16)13(19)15-10-12-2-4-14-5-3-12/h2-5H,6-10H2,1H3,(H,15,19).
What are the key properties of 4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 110706314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).