N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

C18H31N3O4S — CID 22552771

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C18H31N3O4S/c22-18(19-9-8-16-5-2-1-3-6-16)17-7-4-10-21(15-17)26(23,24)20-11-13-25-14-12-20/h5,17H,1-4,6-15H2,(H,19,22)
InChIKeyTYDVYXHPFHAAFG-UHFFFAOYSA-N
MW385.53 g/mol
LogP1.28
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (PubChem CID 22552771) has the molecular formula C18H31N3O4S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
PubChem CID22552771
Molecular FormulaC18H31N3O4S
Molecular Weight385.53 g/mol
Exact Mass385.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C18H31N3O4S/c22-18(19-9-8-16-5-2-1-3-6-16)17-7-4-10-21(15-17)26(23,24)20-11-13-25-14-12-20/h5,17H,1-4,6-15H2,(H,19,22)
InChIKeyTYDVYXHPFHAAFG-UHFFFAOYSA-N
XLogP1.28
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclohex-1-en-1-ylethyl)-1-(morpholin-4-ylsulfonyl)piperidine-4-carboxamide
CID 3243796
N-[2-(cyclohexen-1-yl)ethyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4341306
N-[2-(1-cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxo-3-piperidinecarboxamide
CID 45232069
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4047398
Ethyl 4-[3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-1-yl]sulfonylpiperazine-1-carboxylate
CID 4059644
N-[2-(cyclohexen-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide
CID 22552840
N-[2-(cyclohexen-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 22552985
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 26330299
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 26330301
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 28570659
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 28570662
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 29255870

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (CID 22552771) is N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is TYDVYXHPFHAAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4S/c22-18(19-9-8-16-5-2-1-3-6-16)17-7-4-10-21(15-17)26(23,24)20-11-13-25-14-12-20/h5,17H,1-4,6-15H2,(H,19,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 22552771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).