2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone

C18H21NOS — CID 110289456

IUPAC2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C18H21NOS/c20-18(14-15-5-2-1-3-6-15)19-10-8-16(9-11-19)13-17-7-4-12-21-17/h1-7,12,16H,8-11,13-14H2
InChIKeyIGOAWMGYAUXMQW-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.77
Rot. Bonds4

About 2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone

2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 110289456) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
PubChem CID110289456
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C18H21NOS/c20-18(14-15-5-2-1-3-6-15)19-10-8-16(9-11-19)13-17-7-4-12-21-17/h1-7,12,16H,8-11,13-14H2
InChIKeyIGOAWMGYAUXMQW-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289457
1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one
CID 110289429
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110628442
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
N-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperidin-1-yl]propyl]acetamide
CID 110354371
2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110628471
2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289470
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
(4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 110289447
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 80552497
1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110628433

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone (CID 110289456) is 2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCC(Cc2cccs2)CC1.
What is the InChIKey of 2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is IGOAWMGYAUXMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c20-18(14-15-5-2-1-3-6-15)19-10-8-16(9-11-19)13-17-7-4-12-21-17/h1-7,12,16H,8-11,13-14H2.
What are the key properties of 2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone?
2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 299.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110289456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).