2-naphthalen-1-yl-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone

C21H21NOS — CID 71786990

IUPAC2-naphthalen-1-yl-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C21H21NOS/c23-21(14-18-6-3-5-17-4-1-2-7-20(17)18)22-11-8-16(9-12-22)19-10-13-24-15-19/h1-7,10,13,15-16H,8-9,11-12,14H2
InChIKeyHOSFJGACMMQCQT-UHFFFAOYSA-N
MW335.47 g/mol
LogP4.85
Rot. Bonds3

About 2-naphthalen-1-yl-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone

2-naphthalen-1-yl-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone (PubChem CID 71786990) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone
PubChem CID71786990
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC Name2-naphthalen-1-yl-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C21H21NOS/c23-21(14-18-6-3-5-17-4-1-2-7-20(17)18)22-11-8-16(9-12-22)19-10-13-24-15-19/h1-7,10,13,15-16H,8-9,11-12,14H2
InChIKeyHOSFJGACMMQCQT-UHFFFAOYSA-N
XLogP4.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diphenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 1508404
2-(1-benzothiophen-3-yl)-1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 44448431
[4-(Hydroxymethyl)piperidin-1-yl]-(2-methyl-5-naphthalen-1-ylthiophen-3-yl)methanone
CID 137646716
[4-(Hydroxymethyl)piperidin-1-yl]-(3-methyl-5-naphthalen-1-ylthiophen-2-yl)methanone
CID 137660072
2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
CID 44563525
(4aR)-(10bR)-4,10b-dimethyl-8-(2-thiophenyl)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-one
CID 44351555
4-Thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
CID 89525771
1-(4-Benzylpiperidin-1-yl)-2-(thiophen-2-yl)ethanone
CID 669874
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-diphenylpropan-1-one
CID 42470191
1-(naphthalene-1-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 45855481
1-(4-Phenylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 133820536
N-benzyl-N-methyl-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 134800928

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-naphthalen-1-yl-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone (CID 71786990) is 2-naphthalen-1-yl-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-naphthalen-1-yl-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-naphthalen-1-yl-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone is O=C(Cc1cccc2ccccc12)N1CCC(c2ccsc2)CC1.
What is the InChIKey of 2-naphthalen-1-yl-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone?
The InChIKey is HOSFJGACMMQCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c23-21(14-18-6-3-5-17-4-1-2-7-20(17)18)22-11-8-16(9-12-22)19-10-13-24-15-19/h1-7,10,13,15-16H,8-9,11-12,14H2.
What are the key properties of 2-naphthalen-1-yl-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone?
2-naphthalen-1-yl-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone has a molecular weight of 335.47 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-(4-thiophen-3-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 71786990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).