N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide

C21H28N4O2 — CID 92634328

IUPACN-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
SMILESCc1cc(C)n(CC(=O)N2CCCC[C@@H]2CCNC(=O)c2ccccc2)n1
InChIInChI=1S/C21H28N4O2/c1-16-14-17(2)25(23-16)15-20(26)24-13-7-6-10-19(24)11-12-22-21(27)18-8-4-3-5-9-18/h3-5,8-9,14,19H,6-7,10-13,15H2,1-2H3,(H,22,27)/t19-/m1/s1
InChIKeyCDAMJMOCPZEHDO-LJQANCHMSA-N
MW368.48 g/mol
LogP2.70
Rot. Bonds6

About N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide

N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide (PubChem CID 92634328) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
PubChem CID92634328
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
SMILESCc1cc(C)n(CC(=O)N2CCCC[C@@H]2CCNC(=O)c2ccccc2)n1
InChIInChI=1S/C21H28N4O2/c1-16-14-17(2)25(23-16)15-20(26)24-13-7-6-10-19(24)11-12-22-21(27)18-8-4-3-5-9-18/h3-5,8-9,14,19H,6-7,10-13,15H2,1-2H3,(H,22,27)/t19-/m1/s1
InChIKeyCDAMJMOCPZEHDO-LJQANCHMSA-N
XLogP2.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
CID 92634245
N-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide
CID 110076051
N-[2-[(2S)-1-[2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetyl]piperidin-2-yl]ethyl]benzamide
CID 124968105
N-[2-[(2R)-1-(2,2-diphenylacetyl)piperidin-2-yl]ethyl]benzamide
CID 129455068
N-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide
CID 132779425
methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 79833334
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922396
1-[2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 95766670
N-[2-[(2S)-1-(2,3-dimethyl-1H-indole-4-carbonyl)piperidin-2-yl]ethyl]benzamide
CID 92634273
ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 75925786
N-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide
CID 92632158

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide (CID 92634328) is N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide is Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2CCNC(=O)c2ccccc2)n1.
What is the InChIKey of N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide?
The InChIKey is CDAMJMOCPZEHDO-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16-14-17(2)25(23-16)15-20(26)24-13-7-6-10-19(24)11-12-22-21(27)18-8-4-3-5-9-18/h3-5,8-9,14,19H,6-7,10-13,15H2,1-2H3,(H,22,27)/t19-/m1/s1.
What are the key properties of N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide?
N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 92634328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).