(2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide

C30H36N4O2 — CID 92880146

IUPAC(2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C30H36N4O2/c1-22(29(35)31-25-13-7-3-8-14-25)23-17-19-33(20-18-23)30(36)27-21-34(26-15-9-4-10-16-26)32-28(27)24-11-5-2-6-12-24/h2,4-6,9-12,15-16,21-23,25H,3,7-8,13-14,17-20H2,1H3,(H,31,35)/t22-/m1/s1
InChIKeyRKGJMYIUFRITLE-JOCHJYFZSA-N
MW484.64 g/mol
LogP5.48
Rot. Bonds6

About (2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide

(2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide (PubChem CID 92880146) has the molecular formula C30H36N4O2 and a molecular weight of 484.64 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
PubChem CID92880146
Molecular FormulaC30H36N4O2
Molecular Weight484.64 g/mol
Exact Mass484.28
IUPAC Name(2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C30H36N4O2/c1-22(29(35)31-25-13-7-3-8-14-25)23-17-19-33(20-18-23)30(36)27-21-34(26-15-9-4-10-16-26)32-28(27)24-11-5-2-6-12-24/h2,4-6,9-12,15-16,21-23,25H,3,7-8,13-14,17-20H2,1H3,(H,31,35)/t22-/m1/s1
InChIKeyRKGJMYIUFRITLE-JOCHJYFZSA-N
XLogP5.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 46377822
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119517892
2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46377856
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 26419045
(2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 92880090
4-fluoro-N-[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]benzamide
CID 46591840
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200834
(1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538902
(4-cyclopentylpiperazin-1-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 55584927
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 46540299
1-[4-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 29202210
1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide
CID 32541952

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide (CID 92880146) is (2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide is C[C@@H](C(=O)NC1CCCCC1)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is RKGJMYIUFRITLE-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H36N4O2/c1-22(29(35)31-25-13-7-3-8-14-25)23-17-19-33(20-18-23)30(36)27-21-34(26-15-9-4-10-16-26)32-28(27)24-11-5-2-6-12-24/h2,4-6,9-12,15-16,21-23,25H,3,7-8,13-14,17-20H2,1H3,(H,31,35)/t22-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
(2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 484.64 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 92880146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).