N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

C18H28N2O3S — CID 78815994

IUPACN-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C18H28N2O3S/c1-3-5-13-19-17(21)18(16-9-7-6-8-10-16)11-14-20(15-12-18)24(22,23)4-2/h6-10H,3-5,11-15H2,1-2H3,(H,19,21)
InChIKeyLFCZSVCXRBDNCA-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.29
Rot. Bonds7

About N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (PubChem CID 78815994) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
PubChem CID78815994
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C18H28N2O3S/c1-3-5-13-19-17(21)18(16-9-7-6-8-10-16)11-14-20(15-12-18)24(22,23)4-2/h6-10H,3-5,11-15H2,1-2H3,(H,19,21)
InChIKeyLFCZSVCXRBDNCA-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.29
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-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide
CID 39889707
1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide
CID 78837890
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816298
N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78840882
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78878249
1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 78841149
N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride
CID 120651988
1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide
CID 78816447
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (CID 78815994) is N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is CCCCNC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The InChIKey is LFCZSVCXRBDNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-3-5-13-19-17(21)18(16-9-7-6-8-10-16)11-14-20(15-12-18)24(22,23)4-2/h6-10H,3-5,11-15H2,1-2H3,(H,19,21).
What are the key properties of N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 78815994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).