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

C21H26N2O4S — CID 17478459

IUPAC1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide
SMILESO=C(NCCCOc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O4S/c24-21(22-14-7-17-27-19-8-3-1-4-9-19)18-12-15-23(16-13-18)28(25,26)20-10-5-2-6-11-20/h1-6,8-11,18H,7,12-17H2,(H,22,24)
InChIKeyFVRNKWBARMNRGV-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.67
Rot. Bonds8

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

1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide (PubChem CID 17478459) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide
PubChem CID17478459
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide
SMILESO=C(NCCCOc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O4S/c24-21(22-14-7-17-27-19-8-3-1-4-9-19)18-12-15-23(16-13-18)28(25,26)20-10-5-2-6-11-20/h1-6,8-11,18H,7,12-17H2,(H,22,24)
InChIKeyFVRNKWBARMNRGV-UHFFFAOYSA-N
XLogP2.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.67
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-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 55685731
1-(benzenesulfonyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
CID 55803251
1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 39508472
N-[4-(4-methylphenoxy)butyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55799620
1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 26903277
1-(benzenesulfonyl)-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 100645726
1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide
CID 55861964
1-(4-chlorophenyl)sulfonyl-N-[3-(2-fluorophenoxy)propyl]piperidine-4-carboxamide
CID 17479995
N-[4-(4-fluorophenoxy)butyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 42572161
1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 55723344
1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide
CID 55408023
1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 2295277

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide (CID 17478459) is 1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide is O=C(NCCCOc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide?
The InChIKey is FVRNKWBARMNRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c24-21(22-14-7-17-27-19-8-3-1-4-9-19)18-12-15-23(16-13-18)28(25,26)20-10-5-2-6-11-20/h1-6,8-11,18H,7,12-17H2,(H,22,24).
What are the key properties of 1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 17478459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).