1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide

C12H18N4O2 — CID 60976301

IUPAC1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2ccn[nH]2)CC1
InChIInChI=1S/C12H18N4O2/c1-9(17)16-6-3-10(4-7-16)12(18)13-8-11-2-5-14-15-11/h2,5,10H,3-4,6-8H2,1H3,(H,13,18)(H,14,15)
InChIKeyQYJAKBZPMSFVGQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.28
Rot. Bonds3

About 1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide

1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide (PubChem CID 60976301) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
PubChem CID60976301
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2ccn[nH]2)CC1
InChIInChI=1S/C12H18N4O2/c1-9(17)16-6-3-10(4-7-16)12(18)13-8-11-2-5-14-15-11/h2,5,10H,3-4,6-8H2,1H3,(H,13,18)(H,14,15)
InChIKeyQYJAKBZPMSFVGQ-UHFFFAOYSA-N
XLogP0.28
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 106739789
1-methyl-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 61218006
1-[4-(tert-butylamino)piperidin-1-yl]ethanone;2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
CID 145385346
5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 78983105
6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 112731393
tert-butyl (2R)-2-(1H-pyrazol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 94809182
tert-butyl 2-(1H-pyrazol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51095422
1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 47072465
1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 154774733
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61283327
(2S)-N-(1H-pyrazol-5-ylmethyl)oxolane-2-carboxamide
CID 103872510

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide (CID 60976301) is 1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCc2ccn[nH]2)CC1.
What is the InChIKey of 1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
The InChIKey is QYJAKBZPMSFVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(17)16-6-3-10(4-7-16)12(18)13-8-11-2-5-14-15-11/h2,5,10H,3-4,6-8H2,1H3,(H,13,18)(H,14,15).
What are the key properties of 1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 60976301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).