1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide

C18H28N4O3 — CID 155949004

IUPAC1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)Nc2cc(C3CCOCC3)[nH]n2)C1
InChIInChI=1S/C18H28N4O3/c1-2-4-17(23)22-8-3-5-14(12-22)18(24)19-16-11-15(20-21-16)13-6-9-25-10-7-13/h11,13-14H,2-10,12H2,1H3,(H2,19,20,21,24)
InChIKeyJTYYJUPXJNQBFK-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.28
Rot. Bonds5

About 1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide

1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide (PubChem CID 155949004) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide
PubChem CID155949004
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)Nc2cc(C3CCOCC3)[nH]n2)C1
InChIInChI=1S/C18H28N4O3/c1-2-4-17(23)22-8-3-5-14(12-22)18(24)19-16-11-15(20-21-16)13-6-9-25-10-7-13/h11,13-14H,2-10,12H2,1H3,(H2,19,20,21,24)
InChIKeyJTYYJUPXJNQBFK-UHFFFAOYSA-N
XLogP2.28
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butanoyl-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]piperidine-3-carboxamide
CID 86962232
1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide
CID 55910927
(3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 94796113
(3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide
CID 99564667
N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide
CID 119039024
1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 60526922
(3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide
CID 95326986
N-(5-cycloheptyl-1H-pyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119329584
N-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide
CID 120568749
N-(5-ethyl-1H-pyrazol-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 71991373
3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526678
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide?
The IUPAC name of 1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide (CID 155949004) is 1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide is CCCC(=O)N1CCCC(C(=O)Nc2cc(C3CCOCC3)[nH]n2)C1.
What is the InChIKey of 1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide?
The InChIKey is JTYYJUPXJNQBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-2-4-17(23)22-8-3-5-14(12-22)18(24)19-16-11-15(20-21-16)13-6-9-25-10-7-13/h11,13-14H,2-10,12H2,1H3,(H2,19,20,21,24).
What are the key properties of 1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide?
1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 155949004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).