4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide

C21H28N4O2 — CID 49080458

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NC(C)C(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C21H28N4O2/c1-15-13-16(2)25(23-15)14-18-7-9-19(10-8-18)20(26)22-17(3)21(27)24-11-5-4-6-12-24/h7-10,13,17H,4-6,11-12,14H2,1-3H3,(H,22,26)
InChIKeyHHTOUIWVUKCIKB-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.68
Rot. Bonds5

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide (PubChem CID 49080458) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
PubChem CID49080458
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NC(C)C(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C21H28N4O2/c1-15-13-16(2)25(23-15)14-18-7-9-19(10-8-18)20(26)22-17(3)21(27)24-11-5-4-6-12-24/h7-10,13,17H,4-6,11-12,14H2,1-3H3,(H,22,26)
InChIKeyHHTOUIWVUKCIKB-UHFFFAOYSA-N
XLogP2.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 49013956
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide
CID 48981331
N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 94668085
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 100585329
(2S,3S)-2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-3-methylpentanoic acid
CID 119194190
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-prop-2-ynylbenzamide
CID 49015971
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 95897931
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125073985
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1R)-1-(2-methylphenyl)propyl]benzamide
CID 100586569
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]benzamide
CID 100586131
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100584519
4-chloro-N-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]anilino]-1-oxopropan-2-yl]benzamide
CID 86901739

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide (CID 49080458) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide is Cc1cc(C)n(Cc2ccc(C(=O)NC(C)C(=O)N3CCCCC3)cc2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide?
The InChIKey is HHTOUIWVUKCIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-13-16(2)25(23-15)14-18-7-9-19(10-8-18)20(26)22-17(3)21(27)24-11-5-4-6-12-24/h7-10,13,17H,4-6,11-12,14H2,1-3H3,(H,22,26).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide has a molecular weight of 368.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 49080458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).