(3R)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

C24H30N2O2S — CID 124804876

IUPAC(3R)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)N1CCC[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1
InChIInChI=1S/C24H30N2O2S/c1-17-14-20(17)22(27)26-12-5-11-24(16-26,23(28)25(2)3)15-18-7-9-19(10-8-18)21-6-4-13-29-21/h4,6-10,13,17,20H,5,11-12,14-16H2,1-3H3/t17-,20-,24-/m1/s1
InChIKeyJIFAXXJZUKDCJO-WSCWJOSJSA-N
MW410.58 g/mol
LogP4.31
Rot. Bonds5

About (3R)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 124804876) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID124804876
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC Name(3R)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)N1CCC[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1
InChIInChI=1S/C24H30N2O2S/c1-17-14-20(17)22(27)26-12-5-11-24(16-26,23(28)25(2)3)15-18-7-9-19(10-8-18)21-6-4-13-29-21/h4,6-10,13,17,20H,5,11-12,14-16H2,1-3H3/t17-,20-,24-/m1/s1
InChIKeyJIFAXXJZUKDCJO-WSCWJOSJSA-N
XLogP4.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N-methyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92583392
(3S)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92583430
(3S)-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92583406
N,N-dimethyl-1-propanoyl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231225
1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 124961191
(3S)-1-(2-aminopyridine-3-carbonyl)-N,N-dimethyl-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92605020
(3R)-N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92585147
N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232254
N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232194
(3S)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]pyrrolidine-3-carboxamide
CID 124805911
1-butanoyl-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232249
1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232463

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 124804876) is (3R)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is C[C@@H]1C[C@H]1C(=O)N1CCC[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1.
What is the InChIKey of (3R)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is JIFAXXJZUKDCJO-WSCWJOSJSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-17-14-20(17)22(27)26-12-5-11-24(16-26,23(28)25(2)3)15-18-7-9-19(10-8-18)21-6-4-13-29-21/h4,6-10,13,17,20H,5,11-12,14-16H2,1-3H3/t17-,20-,24-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
(3R)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 410.58 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124804876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).