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

C25H32N2O2S — CID 124971116

IUPAC1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propyl-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1
InChIInChI=1S/C25H32N2O2S/c1-3-12-26-24(29)25(10-13-27(14-11-25)23(28)21-16-18(21)2)17-19-7-4-5-8-20(19)22-9-6-15-30-22/h4-9,15,18,21H,3,10-14,16-17H2,1-2H3,(H,26,29)/t18-,21-/m1/s1
InChIKeyJUPDJHYLXADPKM-WIYYLYMNSA-N
MW424.61 g/mol
LogP4.75
Rot. Bonds7

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

1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propyl-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 124971116) has the molecular formula C25H32N2O2S and a molecular weight of 424.61 g/mol. Its IUPAC name is 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propyl-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propyl-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID124971116
Molecular FormulaC25H32N2O2S
Molecular Weight424.61 g/mol
Exact Mass424.22
IUPAC Name1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propyl-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1
InChIInChI=1S/C25H32N2O2S/c1-3-12-26-24(29)25(10-13-27(14-11-25)23(28)21-16-18(21)2)17-19-7-4-5-8-20(19)22-9-6-15-30-22/h4-9,15,18,21H,3,10-14,16-17H2,1-2H3,(H,26,29)/t18-,21-/m1/s1
InChIKeyJUPDJHYLXADPKM-WIYYLYMNSA-N
XLogP4.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide
CID 132779067
(3S)-N-methyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92583432
N-propyl-1-(pyridin-2-ylmethyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083615
(3S)-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92583430
(3R)-1-(cyclopentanecarbonyl)-N-ethyl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592262
1-(cyclobutanecarbonyl)-N-ethyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231947
1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 124961191
N-ethyl-1-(2-pyridin-3-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230781
(3R)-1-(3,3-dimethylbutanoyl)-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92552135
N-(2-methylpropyl)-1-(pyridine-4-carbonyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230829
N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232027
N-ethyl-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230773

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propyl-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propyl-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide (CID 124971116) is 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propyl-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propyl-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propyl-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide is CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1.
What is the InChIKey of 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propyl-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is JUPDJHYLXADPKM-WIYYLYMNSA-N. The full InChI is InChI=1S/C25H32N2O2S/c1-3-12-26-24(29)25(10-13-27(14-11-25)23(28)21-16-18(21)2)17-19-7-4-5-8-20(19)22-9-6-15-30-22/h4-9,15,18,21H,3,10-14,16-17H2,1-2H3,(H,26,29)/t18-,21-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propyl-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propyl-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 424.61 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-propyl-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 124971116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).