(2R)-N-[4-methyl-3-[[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-thiophen-2-ylphenyl]ethyl]carbamoyl]phenyl]piperidine-2-carboxamide

C30H33N5O2S — CID 177378154

IUPAC(2R)-N-[4-methyl-3-[[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-thiophen-2-ylphenyl]ethyl]carbamoyl]phenyl]piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCCN2)cc1C(=O)N[C@H](C)c1cc(-c2cnn(C)c2)cc(-c2cccs2)c1
InChIInChI=1S/C30H33N5O2S/c1-19-9-10-25(34-30(37)27-7-4-5-11-31-27)16-26(19)29(36)33-20(2)21-13-22(24-17-32-35(3)18-24)15-23(14-21)28-8-6-12-38-28/h6,8-10,12-18,20,27,31H,4-5,7,11H2,1-3H3,(H,33,36)(H,34,37)/t20-,27-/m1/s1
InChIKeyYPYZPSMKQJQUQT-NFQMXDRXSA-N
MW527.69 g/mol
LogP5.70
Rot. Bonds7

About (2R)-N-[4-methyl-3-[[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-thiophen-2-ylphenyl]ethyl]carbamoyl]phenyl]piperidine-2-carboxamide

(2R)-N-[4-methyl-3-[[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-thiophen-2-ylphenyl]ethyl]carbamoyl]phenyl]piperidine-2-carboxamide (PubChem CID 177378154) has the molecular formula C30H33N5O2S and a molecular weight of 527.69 g/mol. Its IUPAC name is (2R)-N-[4-methyl-3-[[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-thiophen-2-ylphenyl]ethyl]carbamoyl]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-methyl-3-[[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-thiophen-2-ylphenyl]ethyl]carbamoyl]phenyl]piperidine-2-carboxamide
PubChem CID177378154
Molecular FormulaC30H33N5O2S
Molecular Weight527.69 g/mol
Exact Mass527.24
IUPAC Name(2R)-N-[4-methyl-3-[[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-thiophen-2-ylphenyl]ethyl]carbamoyl]phenyl]piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCCN2)cc1C(=O)N[C@H](C)c1cc(-c2cnn(C)c2)cc(-c2cccs2)c1
InChIInChI=1S/C30H33N5O2S/c1-19-9-10-25(34-30(37)27-7-4-5-11-31-27)16-26(19)29(36)33-20(2)21-13-22(24-17-32-35(3)18-24)15-23(14-21)28-8-6-12-38-28/h6,8-10,12-18,20,27,31H,4-5,7,11H2,1-3H3,(H,33,36)(H,34,37)/t20-,27-/m1/s1
InChIKeyYPYZPSMKQJQUQT-NFQMXDRXSA-N
XLogP5.70
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.69
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[4-methyl-3-[[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-thiophen-2-ylphenyl]ethyl]carbamoyl]phenyl]piperidine-2-carboxamide with MolForge

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Related Compounds

N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2329736
1H-Pyrazole-4-carboxamide, N-2-naphthalenyl-1-phenyl-3-(2-thienyl)-
CID 2308236
2-Methyl-N-[4-(2-methyl-4,5-dihydro-2H-9-thia-1,2,6-triaza-cyclopenta[e]azulene-6-carbonyl)-phenyl]-benzamide
CID 44374839
5-(1H-pyrazol-4-yl)-thiophene-2-carboxylic acid 3-(2-methyl-1,2,3,4-tetrahydro-isoquinolin-7-ylcarbamoyl)-benzylamide
CID 56602346
3-(3-methylphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 24687472
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 155518023
5-(4-ethenyl-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
CID 155532647
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(1-methyl-4-phenylpyrazol-5-yl)thiophene-2-carboxamide;hydrochloride
CID 155543985
5-(4-ethyl-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
CID 155556173
5-(1,4-dimethylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
CID 155565280
[4-(1,3-Diphenylpyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 16301500
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide
CID 164617763

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-methyl-3-[[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-thiophen-2-ylphenyl]ethyl]carbamoyl]phenyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-methyl-3-[[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-thiophen-2-ylphenyl]ethyl]carbamoyl]phenyl]piperidine-2-carboxamide (CID 177378154) is (2R)-N-[4-methyl-3-[[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-thiophen-2-ylphenyl]ethyl]carbamoyl]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-methyl-3-[[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-thiophen-2-ylphenyl]ethyl]carbamoyl]phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-methyl-3-[[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-thiophen-2-ylphenyl]ethyl]carbamoyl]phenyl]piperidine-2-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCCN2)cc1C(=O)N[C@H](C)c1cc(-c2cnn(C)c2)cc(-c2cccs2)c1.
What is the InChIKey of (2R)-N-[4-methyl-3-[[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-thiophen-2-ylphenyl]ethyl]carbamoyl]phenyl]piperidine-2-carboxamide?
The InChIKey is YPYZPSMKQJQUQT-NFQMXDRXSA-N. The full InChI is InChI=1S/C30H33N5O2S/c1-19-9-10-25(34-30(37)27-7-4-5-11-31-27)16-26(19)29(36)33-20(2)21-13-22(24-17-32-35(3)18-24)15-23(14-21)28-8-6-12-38-28/h6,8-10,12-18,20,27,31H,4-5,7,11H2,1-3H3,(H,33,36)(H,34,37)/t20-,27-/m1/s1.
What are the key properties of (2R)-N-[4-methyl-3-[[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-thiophen-2-ylphenyl]ethyl]carbamoyl]phenyl]piperidine-2-carboxamide?
(2R)-N-[4-methyl-3-[[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-thiophen-2-ylphenyl]ethyl]carbamoyl]phenyl]piperidine-2-carboxamide has a molecular weight of 527.69 g/mol, XLogP of 5.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-methyl-3-[[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-thiophen-2-ylphenyl]ethyl]carbamoyl]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 177378154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).