N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C17H26N2O4S — CID 3863405

IUPACN,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C17H26N2O4S/c1-4-18(5-2)17(20)14-7-6-12-19(13-14)24(21,22)16-10-8-15(23-3)9-11-16/h8-11,14H,4-7,12-13H2,1-3H3
InChIKeyDROBNZNPZFMIMO-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.96
Rot. Bonds6

About N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 3863405) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID3863405
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C17H26N2O4S/c1-4-18(5-2)17(20)14-7-6-12-19(13-14)24(21,22)16-10-8-15(23-3)9-11-16/h8-11,14H,4-7,12-13H2,1-3H3
InChIKeyDROBNZNPZFMIMO-UHFFFAOYSA-N
XLogP1.96
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 71737579
(3S)-N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 71737581
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 46636602
N-ethyl-1-(4-methoxyphenyl)sulfonyl-N-(oxolan-3-ylmethyl)piperidine-3-carboxamide
CID 55745040
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 125050637
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 24641369
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100800248

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 3863405) is N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is DROBNZNPZFMIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-4-18(5-2)17(20)14-7-6-12-19(13-14)24(21,22)16-10-8-15(23-3)9-11-16/h8-11,14H,4-7,12-13H2,1-3H3.
What are the key properties of N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3863405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).