4-methylsulfonyl-N-(3-phenylpropyl)piperidine-1-carboxamide

C16H24N2O3S — CID 71805735

IUPAC4-methylsulfonyl-N-(3-phenylpropyl)piperidine-1-carboxamide
SMILESCS(=O)(=O)C1CCN(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-22(20,21)15-9-12-18(13-10-15)16(19)17-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,19)
InChIKeyRSWTUSBCVPUGAA-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.84
Rot. Bonds5

About 4-methylsulfonyl-N-(3-phenylpropyl)piperidine-1-carboxamide

4-methylsulfonyl-N-(3-phenylpropyl)piperidine-1-carboxamide (PubChem CID 71805735) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(3-phenylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-(3-phenylpropyl)piperidine-1-carboxamide
PubChem CID71805735
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name4-methylsulfonyl-N-(3-phenylpropyl)piperidine-1-carboxamide
SMILESCS(=O)(=O)C1CCN(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-22(20,21)15-9-12-18(13-10-15)16(19)17-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,19)
InChIKeyRSWTUSBCVPUGAA-UHFFFAOYSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea
CID 10111188
1-Benzylsulfonyl-3-butylurea
CID 234307
N-(2-cyclohex-1-en-1-ylethyl)-3-[(4-methylbenzyl)sulfonyl]propanamide
CID 4119952
1-Cyclohexyl-3-(1-phenylmethanesulfonyl-piperidin-4-yl)-urea
CID 645563
3-[(2-fluorobenzyl)sulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide
CID 3238643
3-[(4-methylbenzyl)sulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 3240303
3-{[(benzylsulfonyl)amino]methyl}-N-(2-phenylethyl)piperidine-1-carboxamide
CID 16189502
3-{[(benzylsulfonyl)amino]methyl}-N-cyclohexylpiperidine-1-carboxamide
CID 16189516
3-[(2-fluorophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 20968435
1-[(1,1-Dioxothiolan-3-yl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 45810763
2-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 45912579
1-(1,1-Dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea
CID 47016194

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(3-phenylpropyl)piperidine-1-carboxamide?
The IUPAC name of 4-methylsulfonyl-N-(3-phenylpropyl)piperidine-1-carboxamide (CID 71805735) is 4-methylsulfonyl-N-(3-phenylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-methylsulfonyl-N-(3-phenylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-methylsulfonyl-N-(3-phenylpropyl)piperidine-1-carboxamide is CS(=O)(=O)C1CCN(C(=O)NCCCc2ccccc2)CC1.
What is the InChIKey of 4-methylsulfonyl-N-(3-phenylpropyl)piperidine-1-carboxamide?
The InChIKey is RSWTUSBCVPUGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-22(20,21)15-9-12-18(13-10-15)16(19)17-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,19).
What are the key properties of 4-methylsulfonyl-N-(3-phenylpropyl)piperidine-1-carboxamide?
4-methylsulfonyl-N-(3-phenylpropyl)piperidine-1-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(3-phenylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 71805735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).