1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide

C20H28N2O5S — CID 55647241

IUPAC1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1
InChIInChI=1S/C20H28N2O5S/c1-2-12-28(24,25)22-11-5-6-15(14-22)19(23)21-16-7-8-17-18(13-16)27-20(26-17)9-3-4-10-20/h7-8,13,15H,2-6,9-12,14H2,1H3,(H,21,23)
InChIKeyQIISBCDLGUKVMY-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.12
Rot. Bonds5

About 1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide

1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide (PubChem CID 55647241) has the molecular formula C20H28N2O5S and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
PubChem CID55647241
Molecular FormulaC20H28N2O5S
Molecular Weight408.52 g/mol
Exact Mass408.17
IUPAC Name1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1
InChIInChI=1S/C20H28N2O5S/c1-2-12-28(24,25)22-11-5-6-15(14-22)19(23)21-16-7-8-17-18(13-16)27-20(26-17)9-3-4-10-20/h7-8,13,15H,2-6,9-12,14H2,1H3,(H,21,23)
InChIKeyQIISBCDLGUKVMY-UHFFFAOYSA-N
XLogP3.12
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-methoxyphenyl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
CID 41210244
(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51941069
(3R)-N-(1,3-benzodioxol-5-yl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447151
N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647265
1-(1-methylsulfonylpiperidin-3-yl)-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylurea
CID 47745176
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 42959127
1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
CID 55462008
(3R)-1-ethylsulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 41447084
(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 95194931
N-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55759678
(3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956219
(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447063

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide?
The IUPAC name of 1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide (CID 55647241) is 1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1.
What is the InChIKey of 1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide?
The InChIKey is QIISBCDLGUKVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5S/c1-2-12-28(24,25)22-11-5-6-15(14-22)19(23)21-16-7-8-17-18(13-16)27-20(26-17)9-3-4-10-20/h7-8,13,15H,2-6,9-12,14H2,1H3,(H,21,23).
What are the key properties of 1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide?
1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide is sourced from PubChem (CID 55647241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).