1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide

C18H29N3O3S — CID 134025693

IUPAC1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H29N3O3S/c1-3-20(4-2)14-12-19-18(22)16-9-8-13-21(15-16)25(23,24)17-10-6-5-7-11-17/h5-7,10-11,16H,3-4,8-9,12-15H2,1-2H3,(H,19,22)
InChIKeyZESXHBZHHGGHMV-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.55
Rot. Bonds8

About 1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide (PubChem CID 134025693) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide
PubChem CID134025693
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H29N3O3S/c1-3-20(4-2)14-12-19-18(22)16-9-8-13-21(15-16)25(23,24)17-10-6-5-7-11-17/h5-7,10-11,16H,3-4,8-9,12-15H2,1-2H3,(H,19,22)
InChIKeyZESXHBZHHGGHMV-UHFFFAOYSA-N
XLogP1.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
CID 38767342
(3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 7441892
N-[3-(azepan-1-yl)propyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 133167771
(3R)-N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156195
(3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 51388846
1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 133167768
1-(benzenesulfonyl)-N-[3-(2-hydroxyethoxy)propyl]piperidine-3-carboxamide
CID 75451639
(3R)-1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1081586
(3S)-1-(benzenesulfonyl)-N-(3-cyclopentyloxypropyl)piperidine-3-carboxamide
CID 99622037
1-(benzenesulfonyl)-N-[3-(4-hydroxyphenyl)propyl]piperidine-3-carboxamide
CID 86972828
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide (CID 134025693) is 1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide is CCN(CC)CCNC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is ZESXHBZHHGGHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-3-20(4-2)14-12-19-18(22)16-9-8-13-21(15-16)25(23,24)17-10-6-5-7-11-17/h5-7,10-11,16H,3-4,8-9,12-15H2,1-2H3,(H,19,22).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 134025693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).