1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide

C23H28Cl2N2O5S — CID 92680042

IUPAC1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(OC[C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C23H28Cl2N2O5S/c1-16(14-32-20-6-4-19(31-2)5-7-20)26-23(28)18-9-11-27(12-10-18)33(29,30)15-17-3-8-21(24)22(25)13-17/h3-8,13,16,18H,9-12,14-15H2,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyATUGWKCNDNNXFP-INIZCTEOSA-N
MW515.46 g/mol
LogP4.13
Rot. Bonds9

About 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide

1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide (PubChem CID 92680042) has the molecular formula C23H28Cl2N2O5S and a molecular weight of 515.46 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
PubChem CID92680042
Molecular FormulaC23H28Cl2N2O5S
Molecular Weight515.46 g/mol
Exact Mass514.11
IUPAC Name1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(OC[C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C23H28Cl2N2O5S/c1-16(14-32-20-6-4-19(31-2)5-7-20)26-23(28)18-9-11-27(12-10-18)33(29,30)15-17-3-8-21(24)22(25)13-17/h3-8,13,16,18H,9-12,14-15H2,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyATUGWKCNDNNXFP-INIZCTEOSA-N
XLogP4.13
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[(2-chlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 30397743
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100654629
N-[1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 133167682
1-(benzenesulfonyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 133167037
1-(4-methoxyphenyl)sulfonyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 133167697
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 133201697
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 43916436
1-benzylsulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 29204159
1-(4-methoxyphenyl)sulfonyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 7248361
(3R)-1-ethylsulfonyl-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 125042732
1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 28579072
1-[(4-fluorophenyl)methylsulfonyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 92686091

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide (CID 92680042) is 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide is COc1ccc(OC[C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is ATUGWKCNDNNXFP-INIZCTEOSA-N. The full InChI is InChI=1S/C23H28Cl2N2O5S/c1-16(14-32-20-6-4-19(31-2)5-7-20)26-23(28)18-9-11-27(12-10-18)33(29,30)15-17-3-8-21(24)22(25)13-17/h3-8,13,16,18H,9-12,14-15H2,1-2H3,(H,26,28)/t16-/m0/s1.
What are the key properties of 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide?
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 515.46 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 92680042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).