1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide

C28H36N2O2 — CID 95805840

IUPAC1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CCN(C(=O)[C@H]3C[C@H]3C)CC2)c1
InChIInChI=1S/C28H36N2O2/c1-19(2)29-27(32)28(12-14-30(15-13-28)26(31)25-16-21(25)4)18-22-9-7-10-23(17-22)24-11-6-5-8-20(24)3/h5-11,17,19,21,25H,12-16,18H2,1-4H3,(H,29,32)/t21-,25+/m1/s1
InChIKeyFSDUNSWFDXCSOL-BWKNWUBXSA-N
MW432.61 g/mol
LogP4.99
Rot. Bonds6

About 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide

1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 95805840) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID95805840
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC Name1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CCN(C(=O)[C@H]3C[C@H]3C)CC2)c1
InChIInChI=1S/C28H36N2O2/c1-19(2)29-27(32)28(12-14-30(15-13-28)26(31)25-16-21(25)4)18-22-9-7-10-23(17-22)24-11-6-5-8-20(24)3/h5-11,17,19,21,25H,12-16,18H2,1-4H3,(H,29,32)/t21-,25+/m1/s1
InChIKeyFSDUNSWFDXCSOL-BWKNWUBXSA-N
XLogP4.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 95805840) is 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide is Cc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CCN(C(=O)[C@H]3C[C@H]3C)CC2)c1.
What is the InChIKey of 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is FSDUNSWFDXCSOL-BWKNWUBXSA-N. The full InChI is InChI=1S/C28H36N2O2/c1-19(2)29-27(32)28(12-14-30(15-13-28)26(31)25-16-21(25)4)18-22-9-7-10-23(17-22)24-11-6-5-8-20(24)3/h5-11,17,19,21,25H,12-16,18H2,1-4H3,(H,29,32)/t21-,25+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 432.61 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 95805840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).