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

C19H33N3O3S — CID 4605101

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H33N3O3S/c23-19(20-12-9-17-7-3-1-4-8-17)18-10-15-22(16-11-18)26(24,25)21-13-5-2-6-14-21/h7,18H,1-6,8-16H2,(H,20,23)
InChIKeyIEUOVTAMBQTNHD-UHFFFAOYSA-N
MW383.56 g/mol
LogP2.44
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 4605101) has the molecular formula C19H33N3O3S and a molecular weight of 383.56 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID4605101
Molecular FormulaC19H33N3O3S
Molecular Weight383.56 g/mol
Exact Mass383.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H33N3O3S/c23-19(20-12-9-17-7-3-1-4-8-17)18-10-15-22(16-11-18)26(24,25)21-13-5-2-6-14-21/h7,18H,1-6,8-16H2,(H,20,23)
InChIKeyIEUOVTAMBQTNHD-UHFFFAOYSA-N
XLogP2.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3586134
N-(2-cyclohex-1-en-1-ylethyl)-1-(morpholin-4-ylsulfonyl)piperidine-4-carboxamide
CID 3243796
N-(2-cyclohex-1-en-1-ylethyl)-1-[(diethylamino)sulfonyl]piperidine-4-carboxamide
CID 5187962
N-[2-(1-cyclohexen-1-yl)ethyl]-1-(methylsulfonyl)-4-piperidinecarboxamide
CID 774762
N-(2-cyclohex-1-en-1-ylethyl)-1-[(3,5-dimethylpiperidin-1-yl)sulfonyl]piperidine-4-carboxamide
CID 3502015
N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 3237015
N-(2-cyclohex-1-en-1-ylethyl)-1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxamide
CID 4983363
N-[2-(cyclohexen-1-yl)ethyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4341306
N-[2-(cyclohexen-1-yl)ethyl]-1-(diethylsulfamoyl)piperidine-3-carboxamide
CID 15992752
1-(azepan-1-ylsulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 4080811
1-acetyl-N-[2-(cyclohex-1-en-1-yl)ethyl]piperidine-4-carboxamide
CID 6467776
1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 25492930

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (CID 4605101) is N-[2-(cyclohexen-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is IEUOVTAMBQTNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3S/c23-19(20-12-9-17-7-3-1-4-8-17)18-10-15-22(16-11-18)26(24,25)21-13-5-2-6-14-21/h7,18H,1-6,8-16H2,(H,20,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 383.56 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4605101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).