5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide

C18H28N2O3S — CID 174927371

IUPAC5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide
SMILESCS(=O)(=O)c1ccc(CN2CCC(CCCCC(N)=O)CC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-24(22,23)17-8-6-16(7-9-17)14-20-12-10-15(11-13-20)4-2-3-5-18(19)21/h6-9,15H,2-5,10-14H2,1H3,(H2,19,21)
InChIKeyDKOJEMQZILGXES-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.35
Rot. Bonds8

About 5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide

5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide (PubChem CID 174927371) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide.

Molecular Properties

Compound Name5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide
PubChem CID174927371
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide
SMILESCS(=O)(=O)c1ccc(CN2CCC(CCCCC(N)=O)CC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-24(22,23)17-8-6-16(7-9-17)14-20-12-10-15(11-13-20)4-2-3-5-18(19)21/h6-9,15H,2-5,10-14H2,1H3,(H2,19,21)
InChIKeyDKOJEMQZILGXES-UHFFFAOYSA-N
XLogP2.35
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide 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

[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol
CID 122463493
4-tert-butyl-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 58974928
N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62513794
5-(1-benzylpiperidin-4-yl)pentanethioamide
CID 139624929
3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine
CID 120781709
3-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]propanoic acid
CID 62216848
N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 67703736
1-benzyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide
CID 90292098
N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 70680969
4-[(4-methylpiperidin-1-yl)methyl]benzenesulfonic acid
CID 94830309
4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 63248566
1-benzyl-5-ethyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide
CID 90292101

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide?
The IUPAC name of 5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide (CID 174927371) is 5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide.
What is the SMILES notation for 5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide?
The canonical SMILES for 5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide is CS(=O)(=O)c1ccc(CN2CCC(CCCCC(N)=O)CC2)cc1.
What is the InChIKey of 5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide?
The InChIKey is DKOJEMQZILGXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-24(22,23)17-8-6-16(7-9-17)14-20-12-10-15(11-13-20)4-2-3-5-18(19)21/h6-9,15H,2-5,10-14H2,1H3,(H2,19,21).
What are the key properties of 5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide?
5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide has a molecular weight of 352.50 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide is sourced from PubChem (CID 174927371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).