3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide

C19H34N2O4S — CID 55950906

IUPAC3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)CCS(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C19H34N2O4S/c1-3-15(4-2)19(23)21-12-9-16(10-13-21)20-18(22)11-14-26(24,25)17-7-5-6-8-17/h15-17H,3-14H2,1-2H3,(H,20,22)
InChIKeyUBYRDDUXJQVSER-UHFFFAOYSA-N
MW386.56 g/mol
LogP2.28
Rot. Bonds8

About 3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide

3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide (PubChem CID 55950906) has the molecular formula C19H34N2O4S and a molecular weight of 386.56 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide
PubChem CID55950906
Molecular FormulaC19H34N2O4S
Molecular Weight386.56 g/mol
Exact Mass386.22
IUPAC Name3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)CCS(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C19H34N2O4S/c1-3-15(4-2)19(23)21-12-9-16(10-13-21)20-18(22)11-14-26(24,25)17-7-5-6-8-17/h15-17H,3-14H2,1-2H3,(H,20,22)
InChIKeyUBYRDDUXJQVSER-UHFFFAOYSA-N
XLogP2.28
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820033
N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60550291
N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 124507283
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536839
N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
CID 110820083
N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide
CID 65227339
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 55949745
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclopentylsulfonylpropanamide
CID 119458802
N-cyclohexyl-4-(2-ethylbutanoyl)-1,4-diazepane-1-carboxamide
CID 110811406
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylcyclobutane-1-sulfonamide
CID 136561883
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide
CID 86945191
N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide
CID 54996241

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide (CID 55950906) is 3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide is CCC(CC)C(=O)N1CCC(NC(=O)CCS(=O)(=O)C2CCCC2)CC1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide?
The InChIKey is UBYRDDUXJQVSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4S/c1-3-15(4-2)19(23)21-12-9-16(10-13-21)20-18(22)11-14-26(24,25)17-7-5-6-8-17/h15-17H,3-14H2,1-2H3,(H,20,22).
What are the key properties of 3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide?
3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide has a molecular weight of 386.56 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 55950906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).