(2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide

C19H24N4O2 — CID 95280062

IUPAC(2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide
SMILESO=C(NCCC(=O)N1CCCCC1)[C@H](c1ccccc1)n1cccn1
InChIInChI=1S/C19H24N4O2/c24-17(22-13-5-2-6-14-22)10-12-20-19(25)18(23-15-7-11-21-23)16-8-3-1-4-9-16/h1,3-4,7-9,11,15,18H,2,5-6,10,12-14H2,(H,20,25)/t18-/m0/s1
InChIKeyWAHUOXZOUUVFJB-SFHVURJKSA-N
MW340.43 g/mol
LogP1.99
Rot. Bonds6

About (2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide

(2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide (PubChem CID 95280062) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound Name(2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide
PubChem CID95280062
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide
SMILESO=C(NCCC(=O)N1CCCCC1)[C@H](c1ccccc1)n1cccn1
InChIInChI=1S/C19H24N4O2/c24-17(22-13-5-2-6-14-22)10-12-20-19(25)18(23-15-7-11-21-23)16-8-3-1-4-9-16/h1,3-4,7-9,11,15,18H,2,5-6,10,12-14H2,(H,20,25)/t18-/m0/s1
InChIKeyWAHUOXZOUUVFJB-SFHVURJKSA-N
XLogP1.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide
CID 61251452
(2R)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 94822827
N-(2-hydroxy-2-phenylethyl)-2-phenyl-2-pyrazol-1-ylacetamide
CID 51103317
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(1R)-1-phenylethyl]urea
CID 52810285
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 56503793
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 51101673
3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78860650
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
ethyl (3R)-1-[(2R)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxylate
CID 95383565
4-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 119230000
1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236257
2-phenyl-N-(1-propylpiperidin-4-yl)-2-pyrazol-1-ylacetamide
CID 51108379

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide?
The IUPAC name of (2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide (CID 95280062) is (2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide.
What is the SMILES notation for (2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide?
The canonical SMILES for (2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide is O=C(NCCC(=O)N1CCCCC1)[C@H](c1ccccc1)n1cccn1.
What is the InChIKey of (2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide?
The InChIKey is WAHUOXZOUUVFJB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-17(22-13-5-2-6-14-22)10-12-20-19(25)18(23-15-7-11-21-23)16-8-3-1-4-9-16/h1,3-4,7-9,11,15,18H,2,5-6,10,12-14H2,(H,20,25)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide?
(2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide has a molecular weight of 340.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 95280062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).