N-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide

C23H30N2O4S — CID 55759678

IUPACN-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)C1
InChIInChI=1S/C23H30N2O4S/c1-3-14-30(27,28)25-13-7-10-19(17-25)23(26)24-21-11-12-22(29-2)20(16-21)15-18-8-5-4-6-9-18/h4-6,8-9,11-12,16,19H,3,7,10,13-15,17H2,1-2H3,(H,24,26)
InChIKeyOUIMIGNUKMILCJ-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.68
Rot. Bonds8

About N-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide

N-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 55759678) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID55759678
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)C1
InChIInChI=1S/C23H30N2O4S/c1-3-14-30(27,28)25-13-7-10-19(17-25)23(26)24-21-11-12-22(29-2)20(16-21)15-18-8-5-4-6-9-18/h4-6,8-9,11-12,16,19H,3,7,10,13-15,17H2,1-2H3,(H,24,26)
InChIKeyOUIMIGNUKMILCJ-UHFFFAOYSA-N
XLogP3.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide
CID 27038654
(3S)-N-(3,4-dimethoxyphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447145
N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647265
(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51941069
N-(4-methoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43916521
(3R)-N-(3-methoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 99949692
(3R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-3-carboxamide
CID 38708605
(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 95194931
1-benzylsulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 50809020
(3S)-1-(benzenesulfonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100660535
3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 119696247
N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55752735

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide (CID 55759678) is N-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)C1.
What is the InChIKey of N-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is OUIMIGNUKMILCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-3-14-30(27,28)25-13-7-10-19(17-25)23(26)24-21-11-12-22(29-2)20(16-21)15-18-8-5-4-6-9-18/h4-6,8-9,11-12,16,19H,3,7,10,13-15,17H2,1-2H3,(H,24,26).
What are the key properties of N-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide?
N-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55759678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).