(2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide

C19H22N4O3 — CID 97453580

IUPAC(2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
SMILESO=C1OCc2ccc(NC(=O)N3CCCC[C@H]3CCn3cccn3)cc21
InChIInChI=1S/C19H22N4O3/c24-18-17-12-15(6-5-14(17)13-26-18)21-19(25)23-10-2-1-4-16(23)7-11-22-9-3-8-20-22/h3,5-6,8-9,12,16H,1-2,4,7,10-11,13H2,(H,21,25)/t16-/m0/s1
InChIKeyLWYQCWJPCOASJG-INIZCTEOSA-N
MW354.41 g/mol
LogP3.03
Rot. Bonds4

About (2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide

(2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide (PubChem CID 97453580) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
PubChem CID97453580
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
SMILESO=C1OCc2ccc(NC(=O)N3CCCC[C@H]3CCn3cccn3)cc21
InChIInChI=1S/C19H22N4O3/c24-18-17-12-15(6-5-14(17)13-26-18)21-19(25)23-10-2-1-4-16(23)7-11-22-9-3-8-20-22/h3,5-6,8-9,12,16H,1-2,4,7,10-11,13H2,(H,21,25)/t16-/m0/s1
InChIKeyLWYQCWJPCOASJG-INIZCTEOSA-N
XLogP3.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide with MolForge

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Related Compounds

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(2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
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CID 72936728
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(2R)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
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(2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
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(2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 95714167
2-(2-morpholin-4-ylethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
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N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide (CID 97453580) is (2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide is O=C1OCc2ccc(NC(=O)N3CCCC[C@H]3CCn3cccn3)cc21.
What is the InChIKey of (2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is LWYQCWJPCOASJG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-18-17-12-15(6-5-14(17)13-26-18)21-19(25)23-10-2-1-4-16(23)7-11-22-9-3-8-20-22/h3,5-6,8-9,12,16H,1-2,4,7,10-11,13H2,(H,21,25)/t16-/m0/s1.
What are the key properties of (2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
(2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97453580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).