1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide

C17H26N2O4S — CID 113007487

IUPAC1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(OC)c2)CC1
InChIInChI=1S/C17H26N2O4S/c1-3-4-12-24(21,22)19-10-8-14(9-11-19)17(20)18-15-6-5-7-16(13-15)23-2/h5-7,13-14H,3-4,8-12H2,1-2H3,(H,18,20)
InChIKeyJWPCJZKVKMUCOX-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.48
Rot. Bonds7

About 1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide

1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 113007487) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
PubChem CID113007487
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(OC)c2)CC1
InChIInChI=1S/C17H26N2O4S/c1-3-4-12-24(21,22)19-10-8-14(9-11-19)17(20)18-15-6-5-7-16(13-15)23-2/h5-7,13-14H,3-4,8-12H2,1-2H3,(H,18,20)
InChIKeyJWPCJZKVKMUCOX-UHFFFAOYSA-N
XLogP2.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide
CID 113007849
1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 38267925
1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788014
(3R)-N-(3-methoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 99949692
1-(3-acetylphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 8714129
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
1-butylsulfonyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]piperidine-4-carboxamide
CID 55775539
1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 28572806
N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide
CID 46330152
N-(3-methoxyphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106319
1-[(3-bromophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 28565911
1-[1-(2-ethylhexanoyl)piperidin-4-yl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 42881514

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide (CID 113007487) is 1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(OC)c2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is JWPCJZKVKMUCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-4-12-24(21,22)19-10-8-14(9-11-19)17(20)18-15-6-5-7-16(13-15)23-2/h5-7,13-14H,3-4,8-12H2,1-2H3,(H,18,20).
What are the key properties of 1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide?
1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).