(2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide

C26H30N4O2 — CID 92880090

IUPAC(2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCC([C@@H](C)C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C26H30N4O2/c1-19(25(31)27-17-21-9-5-3-6-10-21)22-13-15-29(16-14-22)26(32)24-18-30(28-20(24)2)23-11-7-4-8-12-23/h3-12,18-19,22H,13-17H2,1-2H3,(H,27,31)/t19-/m1/s1
InChIKeyYYLNOVWIHKSMJF-LJQANCHMSA-N
MW430.55 g/mol
LogP3.99
Rot. Bonds6

About (2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide

(2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide (PubChem CID 92880090) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
PubChem CID92880090
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name(2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCC([C@@H](C)C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C26H30N4O2/c1-19(25(31)27-17-21-9-5-3-6-10-21)22-13-15-29(16-14-22)26(32)24-18-30(28-20(24)2)23-11-7-4-8-12-23/h3-12,18-19,22H,13-17H2,1-2H3,(H,27,31)/t19-/m1/s1
InChIKeyYYLNOVWIHKSMJF-LJQANCHMSA-N
XLogP3.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 46377825
N-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 46377822
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119519261
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 110023360
[3-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119540836
(2S)-N-benzyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
CID 95084067
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119623914
(2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 92880146
N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
CID 53103661
N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide
CID 26456307
2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92880086
N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 46376376

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of (2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide (CID 92880090) is (2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for (2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for (2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide is Cc1nn(-c2ccccc2)cc1C(=O)N1CCC([C@@H](C)C(=O)NCc2ccccc2)CC1.
What is the InChIKey of (2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is YYLNOVWIHKSMJF-LJQANCHMSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-19(25(31)27-17-21-9-5-3-6-10-21)22-13-15-29(16-14-22)26(32)24-18-30(28-20(24)2)23-11-7-4-8-12-23/h3-12,18-19,22H,13-17H2,1-2H3,(H,27,31)/t19-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
(2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 430.55 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 92880090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).