N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide

C19H24N4O2 — CID 94668085

IUPACN-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESC[C@H](NC(=O)c1ccc(Cn2cccn2)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C19H24N4O2/c1-15(19(25)22-11-3-2-4-12-22)21-18(24)17-8-6-16(7-9-17)14-23-13-5-10-20-23/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyFTNXAEFYNVZYFZ-HNNXBMFYSA-N
MW340.43 g/mol
LogP2.06
Rot. Bonds5

About N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide

N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 94668085) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID94668085
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESC[C@H](NC(=O)c1ccc(Cn2cccn2)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C19H24N4O2/c1-15(19(25)22-11-3-2-4-12-22)21-18(24)17-8-6-16(7-9-17)14-23-13-5-10-20-23/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyFTNXAEFYNVZYFZ-HNNXBMFYSA-N
XLogP2.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46688121
3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]butanoic acid
CID 119220723
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 49080458
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
N-(1,1-diphenylpropan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46432019
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496
N-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 42102024
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 111429261
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55579728
N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide (CID 94668085) is N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide is C[C@H](NC(=O)c1ccc(Cn2cccn2)cc1)C(=O)N1CCCCC1.
What is the InChIKey of N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is FTNXAEFYNVZYFZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15(19(25)22-11-3-2-4-12-22)21-18(24)17-8-6-16(7-9-17)14-23-13-5-10-20-23/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,21,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide?
N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 94668085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).