1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide

C20H31N3O4S — CID 43044329

IUPAC1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
SMILESCC1CN(CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC(C)O1
InChIInChI=1S/C20H31N3O4S/c1-16-14-22(15-17(2)27-16)13-10-21-20(24)18-8-11-23(12-9-18)28(25,26)19-6-4-3-5-7-19/h3-7,16-18H,8-15H2,1-2H3,(H,21,24)
InChIKeyAQQSDWIVXZHBOW-UHFFFAOYSA-N
MW409.55 g/mol
LogP1.31
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 43044329) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID43044329
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC Name1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
SMILESCC1CN(CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC(C)O1
InChIInChI=1S/C20H31N3O4S/c1-16-14-22(15-17(2)27-16)13-10-21-20(24)18-8-11-23(12-9-18)28(25,26)19-6-4-3-5-7-19/h3-7,16-18H,8-15H2,1-2H3,(H,21,24)
InChIKeyAQQSDWIVXZHBOW-UHFFFAOYSA-N
XLogP1.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 55723351
1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 55723344
1-(benzenesulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 133167065
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 1190402
N-(3,3-diphenylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 26796402
1-(benzenesulfonyl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 17442188
1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide
CID 19282977
1-(benzenesulfonyl)-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-4-carboxamide
CID 100646631
1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17478459
1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 46446968
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43059010

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide (CID 43044329) is 1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide is CC1CN(CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC(C)O1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is AQQSDWIVXZHBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-16-14-22(15-17(2)27-16)13-10-21-20(24)18-8-11-23(12-9-18)28(25,26)19-6-4-3-5-7-19/h3-7,16-18H,8-15H2,1-2H3,(H,21,24).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 409.55 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 43044329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).