(3R)-1-[4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoyl]piperidine-3-carboxamide

C26H30N4O4 — CID 25439428

IUPAC(3R)-1-[4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoyl]piperidine-3-carboxamide
SMILESCOc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)N2CCC[C@@H](C(N)=O)C2)cc1
InChIInChI=1S/C26H30N4O4/c1-34-21-11-9-19(10-12-21)23-16-22(18-6-3-2-4-7-18)28-30(23)25(32)14-13-24(31)29-15-5-8-20(17-29)26(27)33/h2-4,6-7,9-12,20,23H,5,8,13-17H2,1H3,(H2,27,33)/t20-,23+/m1/s1
InChIKeyLUBINAZWJPRKII-OFNKIYASSA-N
MW462.55 g/mol
LogP2.88
Rot. Bonds7

About (3R)-1-[4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoyl]piperidine-3-carboxamide

(3R)-1-[4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoyl]piperidine-3-carboxamide (PubChem CID 25439428) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is (3R)-1-[4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoyl]piperidine-3-carboxamide
PubChem CID25439428
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name(3R)-1-[4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoyl]piperidine-3-carboxamide
SMILESCOc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)N2CCC[C@@H](C(N)=O)C2)cc1
InChIInChI=1S/C26H30N4O4/c1-34-21-11-9-19(10-12-21)23-16-22(18-6-3-2-4-7-18)28-30(23)25(32)14-13-24(31)29-15-5-8-20(17-29)26(27)33/h2-4,6-7,9-12,20,23H,5,8,13-17H2,1H3,(H2,27,33)/t20-,23+/m1/s1
InChIKeyLUBINAZWJPRKII-OFNKIYASSA-N
XLogP2.88
TPSA105.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 1118091
[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] cyclobutanecarboxylate
CID 7717449
[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] cyclopentanecarboxylate
CID 8020411
1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 2960227
N-[(4-methoxyphenyl)methyl]-4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanamide
CID 25413145
cyclopentyl-[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-dimethylazanium
CID 8875501
1-(2,3-dihydroindol-1-yl)-4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]butane-1,4-dione
CID 41183125
(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 7357012
N-(1-cyclopropylethyl)-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-methyl-4-oxobutanamide
CID 24688328
[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] propanoate
CID 7851460
1-[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 4881917
1-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 25352601

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoyl]piperidine-3-carboxamide (CID 25439428) is (3R)-1-[4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoyl]piperidine-3-carboxamide is COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)N2CCC[C@@H](C(N)=O)C2)cc1.
What is the InChIKey of (3R)-1-[4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoyl]piperidine-3-carboxamide?
The InChIKey is LUBINAZWJPRKII-OFNKIYASSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-34-21-11-9-19(10-12-21)23-16-22(18-6-3-2-4-7-18)28-30(23)25(32)14-13-24(31)29-15-5-8-20(17-29)26(27)33/h2-4,6-7,9-12,20,23H,5,8,13-17H2,1H3,(H2,27,33)/t20-,23+/m1/s1.
What are the key properties of (3R)-1-[4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoyl]piperidine-3-carboxamide?
(3R)-1-[4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoyl]piperidine-3-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 25439428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).