1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide

C22H28N2O4S — CID 55685731

IUPAC1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
SMILESO=C(NCCCOc1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O4S/c25-22(23-14-7-17-28-21-10-5-2-6-11-21)20-12-15-24(16-13-20)29(26,27)18-19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-18H2,(H,23,25)
InChIKeyRXJMGQFOLFGXJB-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.81
Rot. Bonds9

About 1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide

1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide (PubChem CID 55685731) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
PubChem CID55685731
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
SMILESO=C(NCCCOc1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O4S/c25-22(23-14-7-17-28-21-10-5-2-6-11-21)20-12-15-24(16-13-20)29(26,27)18-19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-18H2,(H,23,25)
InChIKeyRXJMGQFOLFGXJB-UHFFFAOYSA-N
XLogP2.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17478459
1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 30391483
1-benzylsulfonyl-N-[4-(4-methylpiperazin-1-yl)butyl]piperidine-4-carboxamide
CID 55691039
1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 30388912
1-[(2-chlorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 28637020
1-benzylsulfonyl-N-[2-(oxolan-2-yl)ethyl]piperidine-4-carboxamide
CID 55690454
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450
1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 26903277
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
1-[(4-bromophenyl)methylsulfonyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 53283935
1-benzylsulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 29204159
1-(4-benzylsulfonylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 9298890

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide (CID 55685731) is 1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide is O=C(NCCCOc1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide?
The InChIKey is RXJMGQFOLFGXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c25-22(23-14-7-17-28-21-10-5-2-6-11-21)20-12-15-24(16-13-20)29(26,27)18-19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-18H2,(H,23,25).
What are the key properties of 1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide?
1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55685731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).