N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide

C16H26N2O3S — CID 71796803

IUPACN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)C1CC=CCC1
InChIInChI=1S/C16H26N2O3S/c19-16(14-4-2-1-3-5-14)17-12-13-8-10-18(11-9-13)22(20,21)15-6-7-15/h1-2,13-15H,3-12H2,(H,17,19)
InChIKeyQRGFYCCTAHYFCI-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.66
Rot. Bonds5

About N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide

N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 71796803) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID71796803
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)C1CC=CCC1
InChIInChI=1S/C16H26N2O3S/c19-16(14-4-2-1-3-5-14)17-12-13-8-10-18(11-9-13)22(20,21)15-6-7-15/h1-2,13-15H,3-12H2,(H,17,19)
InChIKeyQRGFYCCTAHYFCI-UHFFFAOYSA-N
XLogP1.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 3237015
N-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42949879
4-(4-methylpiperidin-1-yl)-N-(4-sulfamoylcyclohexa-2,5-dien-1-yl)butanamide
CID 46881376
N-((1-(methylsulfonyl)piperidin-4-yl)methyl)cyclohex-3-enecarboxamide
CID 71796763
2-((1-(cyclohex-3-enecarbonyl)piperidin-4-yl)sulfonyl)-N-methylacetamide
CID 76148642
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 84583924
(1S)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 97559185
(1R)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 97559186
3-[1-(allylsulfonyl)-4-piperidinyl]-N-cyclopropylpropanamide
CID 42159390
2-cyclopent-2-en-1-yl-N-{2-[(dimethylamino)sulfonyl]ethyl}acetamide
CID 56749205
N-[(1R)-4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-yl]-5-(propan-2-ylsulfinylamino)pentanamide
CID 70892478
4-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-ylsulfonyl)-N-methylbutanamide
CID 123228259

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide (CID 71796803) is N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide is O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)C1CC=CCC1.
What is the InChIKey of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is QRGFYCCTAHYFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c19-16(14-4-2-1-3-5-14)17-12-13-8-10-18(11-9-13)22(20,21)15-6-7-15/h1-2,13-15H,3-12H2,(H,17,19).
What are the key properties of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 326.46 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71796803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).