N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide

C12H18N4O2 — CID 112687931

IUPACN-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C12H18N4O2/c1-8-11(7-13-15-8)12(18)16-5-3-10(4-6-16)14-9(2)17/h7,10H,3-6H2,1-2H3,(H,13,15)(H,14,17)
InChIKeyKDXZPJHBFXKEPJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.46
Rot. Bonds2

About N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide

N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide (PubChem CID 112687931) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide
PubChem CID112687931
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C12H18N4O2/c1-8-11(7-13-15-8)12(18)16-5-3-10(4-6-16)14-9(2)17/h7,10H,3-6H2,1-2H3,(H,13,15)(H,14,17)
InChIKeyKDXZPJHBFXKEPJ-UHFFFAOYSA-N
XLogP0.46
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62065172
N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide
CID 77042423
2-methyl-N-[1-(5-methyl-1H-pyrazole-4-carbonyl)azepan-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 110248413
1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918216
(5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999596
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1H-pyrazol-4-yl)methanone
CID 78975186
[3-ethyl-4-(methylamino)piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 114506404
(4-methyl-1,4-diazepan-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 63998879
5-methyl-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-4-carboxamide
CID 63997254
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 63999078
N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97066371
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 71918106

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide (CID 112687931) is N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)c2cn[nH]c2C)CC1.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is KDXZPJHBFXKEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-11(7-13-15-8)12(18)16-5-3-10(4-6-16)14-9(2)17/h7,10H,3-6H2,1-2H3,(H,13,15)(H,14,17).
What are the key properties of N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide?
N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 112687931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).