(4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone

C17H23NOS — CID 110855778

IUPAC(4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone
SMILESO=C(C1CCSC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H23NOS/c19-17(16-8-11-20-13-16)18-9-6-15(7-10-18)12-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2
InChIKeyUEALGLMEWIAXFX-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.22
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone

(4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone (PubChem CID 110855778) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone
PubChem CID110855778
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name(4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone
SMILESO=C(C1CCSC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H23NOS/c19-17(16-8-11-20-13-16)18-9-6-15(7-10-18)12-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2
InChIKeyUEALGLMEWIAXFX-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151
(4-benzylpiperazin-1-yl)-(thian-3-yl)methanone
CID 110853087
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
3-(4-benzylpiperidine-1-carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 17379093
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(1S,2R,3R,4R)-3-(4-benzylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 756892
(4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 26590906
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
(4-benzylpiperidin-1-yl)-[1-(4-tert-butylbenzoyl)piperidin-4-yl]methanone
CID 3411231
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone (CID 110855778) is (4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone is O=C(C1CCSC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone?
The InChIKey is UEALGLMEWIAXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c19-17(16-8-11-20-13-16)18-9-6-15(7-10-18)12-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone?
(4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone has a molecular weight of 289.44 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone is sourced from PubChem (CID 110855778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).