(3-phenylpiperidin-1-yl)-thiophen-2-ylmethanone

C16H17NOS — CID 2893479

IUPAC(3-phenylpiperidin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C16H17NOS/c18-16(15-9-5-11-19-15)17-10-4-8-14(12-17)13-6-2-1-3-7-13/h1-3,5-7,9,11,14H,4,8,10,12H2
InChIKeyUYDXHDOMLSUUEF-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.77
Rot. Bonds2

About (3-phenylpiperidin-1-yl)-thiophen-2-ylmethanone

(3-phenylpiperidin-1-yl)-thiophen-2-ylmethanone (PubChem CID 2893479) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is (3-phenylpiperidin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-phenylpiperidin-1-yl)-thiophen-2-ylmethanone
PubChem CID2893479
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name(3-phenylpiperidin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C16H17NOS/c18-16(15-9-5-11-19-15)17-10-4-8-14(12-17)13-6-2-1-3-7-13/h1-3,5-7,9,11,14H,4,8,10,12H2
InChIKeyUYDXHDOMLSUUEF-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiophene-3-carbonitrile, 2-methylthio-5-(1-piperidinylcarbonyl)-4-(2-thienyl)-
CID 617079
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
Piperidin-1-yl(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)methanone
CID 2072949
(5-bromothiophen-2-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
CID 2225166
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide
CID 2813034
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261

Frequently Asked Questions

What is the IUPAC name of (3-phenylpiperidin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3-phenylpiperidin-1-yl)-thiophen-2-ylmethanone (CID 2893479) is (3-phenylpiperidin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-phenylpiperidin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-phenylpiperidin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCCC(c2ccccc2)C1.
What is the InChIKey of (3-phenylpiperidin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is UYDXHDOMLSUUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c18-16(15-9-5-11-19-15)17-10-4-8-14(12-17)13-6-2-1-3-7-13/h1-3,5-7,9,11,14H,4,8,10,12H2.
What are the key properties of (3-phenylpiperidin-1-yl)-thiophen-2-ylmethanone?
(3-phenylpiperidin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 271.38 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylpiperidin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 2893479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).