(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide

C26H24N4O3 — CID 51903477

IUPAC(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1
InChIInChI=1S/C26H24N4O3/c31-25(28-21-12-10-19(11-13-21)24-9-4-17-33-24)20-6-3-15-29(18-20)26(32)22-7-1-2-8-23(22)30-16-5-14-27-30/h1-2,4-5,7-14,16-17,20H,3,6,15,18H2,(H,28,31)/t20-/m1/s1
InChIKeyQZAJDCSSCLHUIS-HXUWFJFHSA-N
MW440.50 g/mol
LogP4.62
Rot. Bonds5

About (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide

(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide (PubChem CID 51903477) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide
PubChem CID51903477
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1
InChIInChI=1S/C26H24N4O3/c31-25(28-21-12-10-19(11-13-21)24-9-4-17-33-24)20-6-3-15-29(18-20)26(32)22-7-1-2-8-23(22)30-16-5-14-27-30/h1-2,4-5,7-14,16-17,20H,3,6,15,18H2,(H,28,31)/t20-/m1/s1
InChIKeyQZAJDCSSCLHUIS-HXUWFJFHSA-N
XLogP4.62
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide
CID 42348707
N-[4-(furan-2-yl)phenyl]-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine-3-carboxamide
CID 45172863
N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 45175122
1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 134053187
(3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide
CID 42526517
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
(3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide
CID 42191121
(3R)-1-(2-benzoylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 26049540
(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 27745492
1-(2-oxo-1H-pyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 16872669
[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 71847443
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 51119873

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide (CID 51903477) is (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide is O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1.
What is the InChIKey of (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide?
The InChIKey is QZAJDCSSCLHUIS-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H24N4O3/c31-25(28-21-12-10-19(11-13-21)24-9-4-17-33-24)20-6-3-15-29(18-20)26(32)22-7-1-2-8-23(22)30-16-5-14-27-30/h1-2,4-5,7-14,16-17,20H,3,6,15,18H2,(H,28,31)/t20-/m1/s1.
What are the key properties of (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide?
(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 51903477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).