4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide

C22H26N2O2S — CID 42063342

IUPAC4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide
SMILESO=C(c1ccccc1)C1CCN(C(=O)NCCCSc2ccccc2)CC1
InChIInChI=1S/C22H26N2O2S/c25-21(18-8-3-1-4-9-18)19-12-15-24(16-13-19)22(26)23-14-7-17-27-20-10-5-2-6-11-20/h1-6,8-11,19H,7,12-17H2,(H,23,26)
InChIKeyMATLQOHZSRHXPR-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.47
Rot. Bonds7

About 4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide

4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide (PubChem CID 42063342) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide
PubChem CID42063342
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide
SMILESO=C(c1ccccc1)C1CCN(C(=O)NCCCSc2ccccc2)CC1
InChIInChI=1S/C22H26N2O2S/c25-21(18-8-3-1-4-9-18)19-12-15-24(16-13-19)22(26)23-14-7-17-27-20-10-5-2-6-11-20/h1-6,8-11,19H,7,12-17H2,(H,23,26)
InChIKeyMATLQOHZSRHXPR-UHFFFAOYSA-N
XLogP4.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.47
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-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
CID 38572415
4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide
CID 125438027
4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide
CID 122560798
1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone
CID 2740764
1-methyl-N-(3-phenylsulfanylpropyl)azepane-2-carboxamide
CID 72913227
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
1-(3-methylsulfanylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 63959215
cyclopropyl-[4-(3-phenoxypropylsulfanyl)phenyl]methanone
CID 94780031
4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 42062876
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
4-benzoyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-1-carboxamide
CID 17461318
1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
CID 38975761

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide?
The IUPAC name of 4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide (CID 42063342) is 4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide is O=C(c1ccccc1)C1CCN(C(=O)NCCCSc2ccccc2)CC1.
What is the InChIKey of 4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide?
The InChIKey is MATLQOHZSRHXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c25-21(18-8-3-1-4-9-18)19-12-15-24(16-13-19)22(26)23-14-7-17-27-20-10-5-2-6-11-20/h1-6,8-11,19H,7,12-17H2,(H,23,26).
What are the key properties of 4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide?
4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 42063342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).