N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

C25H34N2O5S — CID 92676575

IUPACN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCOc1cc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)ccc1OC(C)C
InChIInChI=1S/C25H34N2O5S/c1-18(2)32-23-10-9-20(15-24(23)31-4)16-26-25(28)21-11-13-27(14-12-21)33(29,30)17-22-8-6-5-7-19(22)3/h5-10,15,18,21H,11-14,16-17H2,1-4H3,(H,26,28)
InChIKeyRPYKBGSUCCXOPD-UHFFFAOYSA-N
MW474.62 g/mol
LogP3.65
Rot. Bonds9

About N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 92676575) has the molecular formula C25H34N2O5S and a molecular weight of 474.62 g/mol. Its IUPAC name is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID92676575
Molecular FormulaC25H34N2O5S
Molecular Weight474.62 g/mol
Exact Mass474.22
IUPAC NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCOc1cc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)ccc1OC(C)C
InChIInChI=1S/C25H34N2O5S/c1-18(2)32-23-10-9-20(15-24(23)31-4)16-26-25(28)21-11-13-27(14-12-21)33(29,30)17-22-8-6-5-7-19(22)3/h5-10,15,18,21H,11-14,16-17H2,1-4H3,(H,26,28)
InChIKeyRPYKBGSUCCXOPD-UHFFFAOYSA-N
XLogP3.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.62
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47002026
N-[(3-fluorophenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 53283629
1-[(2-methylphenyl)methylsulfonyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 100755461
1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 113005041
N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802448
1-[(4-fluorophenyl)methylsulfonyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 38006078
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 41498688
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 53283326
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 100675418
1-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 28571919
1-[(2-methylphenyl)methylsulfonyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92802456
1-[(4-methylphenyl)methylsulfonyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46762829

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide (CID 92676575) is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide is COc1cc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)ccc1OC(C)C.
What is the InChIKey of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is RPYKBGSUCCXOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5S/c1-18(2)32-23-10-9-20(15-24(23)31-4)16-26-25(28)21-11-13-27(14-12-21)33(29,30)17-22-8-6-5-7-19(22)3/h5-10,15,18,21H,11-14,16-17H2,1-4H3,(H,26,28).
What are the key properties of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 474.62 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 92676575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).