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

C22H26N2O2S — CID 124961191

IUPAC1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(N)=O)CC1
InChIInChI=1S/C22H26N2O2S/c1-15-13-18(15)20(25)24-10-8-22(9-11-24,21(23)26)14-16-4-6-17(7-5-16)19-3-2-12-27-19/h2-7,12,15,18H,8-11,13-14H2,1H3,(H2,23,26)/t15-,18+/m0/s1
InChIKeyGZXFRRPTUHVIMB-MAUKXSAKSA-N
MW382.53 g/mol
LogP3.71
Rot. Bonds5

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

1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 124961191) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID124961191
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(N)=O)CC1
InChIInChI=1S/C22H26N2O2S/c1-15-13-18(15)20(25)24-10-8-22(9-11-24,21(23)26)14-16-4-6-17(7-5-16)19-3-2-12-27-19/h2-7,12,15,18H,8-11,13-14H2,1H3,(H2,23,26)/t15-,18+/m0/s1
InChIKeyGZXFRRPTUHVIMB-MAUKXSAKSA-N
XLogP3.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide (CID 124961191) is 1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide is C[C@H]1C[C@H]1C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(N)=O)CC1.
What is the InChIKey of 1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is GZXFRRPTUHVIMB-MAUKXSAKSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-15-13-18(15)20(25)24-10-8-22(9-11-24,21(23)26)14-16-4-6-17(7-5-16)19-3-2-12-27-19/h2-7,12,15,18H,8-11,13-14H2,1H3,(H2,23,26)/t15-,18+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 124961191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).