1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide

C13H20N4O2 — CID 87033981

IUPAC1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C13H20N4O2/c1-2-3-12(18)17-6-4-10(5-7-17)13(19)16-11-8-14-15-9-11/h8-10H,2-7H2,1H3,(H,14,15)(H,16,19)
InChIKeyDYQBLEPTNAGWMG-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.39
Rot. Bonds4

About 1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide

1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide (PubChem CID 87033981) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide
PubChem CID87033981
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C13H20N4O2/c1-2-3-12(18)17-6-4-10(5-7-17)13(19)16-11-8-14-15-9-11/h8-10H,2-7H2,1H3,(H,14,15)(H,16,19)
InChIKeyDYQBLEPTNAGWMG-UHFFFAOYSA-N
XLogP1.39
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide
CID 126841029
ethyl 4-oxo-4-[4-(pyridin-4-ylcarbamoyl)piperidin-1-yl]butanoate
CID 139642128
1-butanoyl-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide
CID 86834222
1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 113007690
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119314607
1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide
CID 113008689
1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895483

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide (CID 87033981) is 1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)Nc2cn[nH]c2)CC1.
What is the InChIKey of 1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide?
The InChIKey is DYQBLEPTNAGWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-3-12(18)17-6-4-10(5-7-17)13(19)16-11-8-14-15-9-11/h8-10H,2-7H2,1H3,(H,14,15)(H,16,19).
What are the key properties of 1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide?
1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 87033981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).