(3R)-N-(3-cyclopentylsulfonylphenyl)-3-(1,3-dioxolan-2-yl)piperidine-1-carboxamide

C20H28N2O5S — CID 95268330

IUPAC(3R)-N-(3-cyclopentylsulfonylphenyl)-3-(1,3-dioxolan-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1CCC[C@@H](C2OCCO2)C1
InChIInChI=1S/C20H28N2O5S/c23-20(22-10-4-5-15(14-22)19-26-11-12-27-19)21-16-6-3-9-18(13-16)28(24,25)17-7-1-2-8-17/h3,6,9,13,15,17,19H,1-2,4-5,7-8,10-12,14H2,(H,21,23)/t15-/m1/s1
InChIKeyYHVBHHCLALHPNN-OAHLLOKOSA-N
MW408.52 g/mol
LogP3.02
Rot. Bonds4

About (3R)-N-(3-cyclopentylsulfonylphenyl)-3-(1,3-dioxolan-2-yl)piperidine-1-carboxamide

(3R)-N-(3-cyclopentylsulfonylphenyl)-3-(1,3-dioxolan-2-yl)piperidine-1-carboxamide (PubChem CID 95268330) has the molecular formula C20H28N2O5S and a molecular weight of 408.52 g/mol. Its IUPAC name is (3R)-N-(3-cyclopentylsulfonylphenyl)-3-(1,3-dioxolan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-cyclopentylsulfonylphenyl)-3-(1,3-dioxolan-2-yl)piperidine-1-carboxamide
PubChem CID95268330
Molecular FormulaC20H28N2O5S
Molecular Weight408.52 g/mol
Exact Mass408.17
IUPAC Name(3R)-N-(3-cyclopentylsulfonylphenyl)-3-(1,3-dioxolan-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1CCC[C@@H](C2OCCO2)C1
InChIInChI=1S/C20H28N2O5S/c23-20(22-10-4-5-15(14-22)19-26-11-12-27-19)21-16-6-3-9-18(13-16)28(24,25)17-7-1-2-8-17/h3,6,9,13,15,17,19H,1-2,4-5,7-8,10-12,14H2,(H,21,23)/t15-/m1/s1
InChIKeyYHVBHHCLALHPNN-OAHLLOKOSA-N
XLogP3.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 52518848
(3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95784332
3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 47185999
(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 38150508
(3S)-3-morpholin-4-ylsulfonyl-N-phenylpiperidine-1-carboxamide
CID 97343329
N-(3-cyclopentylsulfonylphenyl)thiophene-2-carboxamide
CID 39209914
(3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide
CID 97348320
N-(3-cyclopentylsulfonylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 55612889
2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide
CID 39209795
N-(3-cyclopentylsulfonylphenyl)thiophene-3-carboxamide
CID 39208667
3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 71805623
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-cyclopentylsulfonylphenyl)-3-(1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(3-cyclopentylsulfonylphenyl)-3-(1,3-dioxolan-2-yl)piperidine-1-carboxamide (CID 95268330) is (3R)-N-(3-cyclopentylsulfonylphenyl)-3-(1,3-dioxolan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3-cyclopentylsulfonylphenyl)-3-(1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(3-cyclopentylsulfonylphenyl)-3-(1,3-dioxolan-2-yl)piperidine-1-carboxamide is O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1CCC[C@@H](C2OCCO2)C1.
What is the InChIKey of (3R)-N-(3-cyclopentylsulfonylphenyl)-3-(1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The InChIKey is YHVBHHCLALHPNN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N2O5S/c23-20(22-10-4-5-15(14-22)19-26-11-12-27-19)21-16-6-3-9-18(13-16)28(24,25)17-7-1-2-8-17/h3,6,9,13,15,17,19H,1-2,4-5,7-8,10-12,14H2,(H,21,23)/t15-/m1/s1.
What are the key properties of (3R)-N-(3-cyclopentylsulfonylphenyl)-3-(1,3-dioxolan-2-yl)piperidine-1-carboxamide?
(3R)-N-(3-cyclopentylsulfonylphenyl)-3-(1,3-dioxolan-2-yl)piperidine-1-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-cyclopentylsulfonylphenyl)-3-(1,3-dioxolan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 95268330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).