2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide

C19H24N4O2 — CID 94800796

IUPAC2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide
SMILESCC(C)C(=O)N[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3)n2)C1
InChIInChI=1S/C19H24N4O2/c1-14(2)18(24)20-15-7-6-11-22(13-15)19(25)17-10-12-23(21-17)16-8-4-3-5-9-16/h3-5,8-10,12,14-15H,6-7,11,13H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyUNNCQSIZPKPDPG-HNNXBMFYSA-N
MW340.43 g/mol
LogP2.25
Rot. Bonds4

About 2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide

2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide (PubChem CID 94800796) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide
PubChem CID94800796
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide
SMILESCC(C)C(=O)N[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3)n2)C1
InChIInChI=1S/C19H24N4O2/c1-14(2)18(24)20-15-7-6-11-22(13-15)19(25)17-10-12-23(21-17)16-8-4-3-5-9-16/h3-5,8-10,12,14-15H,6-7,11,13H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyUNNCQSIZPKPDPG-HNNXBMFYSA-N
XLogP2.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119493699
N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide
CID 94801589
N-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide
CID 94800761
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
[1-(2-fluorophenyl)pyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487860
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 62371842
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(3-bromophenyl)pyrazol-3-yl]methanone
CID 125135425
(3R)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 124576615
(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 119173755
(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 125148641
N-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide
CID 99595335
[3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone
CID 119492158

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide (CID 94800796) is 2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide is CC(C)C(=O)N[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3)n2)C1.
What is the InChIKey of 2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is UNNCQSIZPKPDPG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14(2)18(24)20-15-7-6-11-22(13-15)19(25)17-10-12-23(21-17)16-8-4-3-5-9-16/h3-5,8-10,12,14-15H,6-7,11,13H2,1-2H3,(H,20,24)/t15-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide?
2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 340.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 94800796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).