1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide

C22H28N2O3S — CID 8795286

IUPAC1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-18-9-11-21(12-10-18)28(26,27)24-16-13-20(14-17-24)22(25)23-15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12,20H,5,8,13-17H2,1H3,(H,23,25)
InChIKeyCGIMHERGHYFECX-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.14
Rot. Bonds7

About 1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide

1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 8795286) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID8795286
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-18-9-11-21(12-10-18)28(26,27)24-16-13-20(14-17-24)22(25)23-15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12,20H,5,8,13-17H2,1H3,(H,23,25)
InChIKeyCGIMHERGHYFECX-UHFFFAOYSA-N
XLogP3.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.14
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-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide
CID 55861964
N-[3-(2-chlorophenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100649073
N-(3-hydroxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 3152303
1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 133167768
N-[3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100652408
N-[3-(4-methoxyphenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100656350
N-(3,3-diphenylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 26796402
N-[3-(2-ethoxyphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100648316
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55721701
1-(benzenesulfonyl)-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 100645726
N-benzyl-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 20968119
1-(4-methylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 26594170

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide (CID 8795286) is 1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is CGIMHERGHYFECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-18-9-11-21(12-10-18)28(26,27)24-16-13-20(14-17-24)22(25)23-15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12,20H,5,8,13-17H2,1H3,(H,23,25).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 8795286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).