[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone

C16H17NOS — CID 740549

IUPAC[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC[C@H](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/t14-/m0/s1
InChIKeyUYDXHDOMLSUUEF-AWEZNQCLSA-N
MW271.38 g/mol
LogP3.77
Rot. Bonds2

About [(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone

[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 740549) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is [(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID740549
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC[C@H](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/t14-/m0/s1
InChIKeyUYDXHDOMLSUUEF-AWEZNQCLSA-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

(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690225
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
[3-(cyclopentylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83999954
[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 33172007
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
[4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 47142241
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110874320
(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 121130907
N-methyl-N-(1-phenylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062209

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone (CID 740549) is [(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC[C@H](c2ccccc2)C1.
What is the InChIKey of [(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is UYDXHDOMLSUUEF-AWEZNQCLSA-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/t14-/m0/s1.
What are the key properties of [(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone?
[(3R)-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 [(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 740549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).