(3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C20H28N4O2S — CID 51953844

IUPAC(3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)n1
InChIInChI=1S/C20H28N4O2S/c1-14(12-24-16(3)10-15(2)22-24)11-21-19(25)17-6-4-8-23(13-17)20(26)18-7-5-9-27-18/h5,7,9-10,14,17H,4,6,8,11-13H2,1-3H3,(H,21,25)/t14-,17-/m1/s1
InChIKeyBMRYXUPMLOPWIU-RHSMWYFYSA-N
MW388.54 g/mol
LogP2.87
Rot. Bonds6

About (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

(3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 51953844) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID51953844
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name(3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)n1
InChIInChI=1S/C20H28N4O2S/c1-14(12-24-16(3)10-15(2)22-24)11-21-19(25)17-6-4-8-23(13-17)20(26)18-7-5-9-27-18/h5,7,9-10,14,17H,4,6,8,11-13H2,1-3H3,(H,21,25)/t14-,17-/m1/s1
InChIKeyBMRYXUPMLOPWIU-RHSMWYFYSA-N
XLogP2.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053338
(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30783507
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053321
N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
CID 46557972
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51960032
(3S)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 51933493
(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 97013445
N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 71941255
N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002117
(2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55980543

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 51953844) is (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is Cc1cc(C)n(C[C@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)n1.
What is the InChIKey of (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is BMRYXUPMLOPWIU-RHSMWYFYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-14(12-24-16(3)10-15(2)22-24)11-21-19(25)17-6-4-8-23(13-17)20(26)18-7-5-9-27-18/h5,7,9-10,14,17H,4,6,8,11-13H2,1-3H3,(H,21,25)/t14-,17-/m1/s1.
What are the key properties of (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
(3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 51953844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).