1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone

C17H19NOS — CID 90861887

IUPAC1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C17H19NOS/c19-15(13-18-11-5-2-6-12-18)17-10-9-16(20-17)14-7-3-1-4-8-14/h1,3-4,7-10H,2,5-6,11-13H2
InChIKeyMRGGQCSXDSNVNC-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.08
Rot. Bonds4

About 1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone

1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone (PubChem CID 90861887) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone
PubChem CID90861887
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C17H19NOS/c19-15(13-18-11-5-2-6-12-18)17-10-9-16(20-17)14-7-3-1-4-8-14/h1,3-4,7-10H,2,5-6,11-13H2
InChIKeyMRGGQCSXDSNVNC-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-phenylthiophen-2-yl)-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 164637032
1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone
CID 43227597
3-(4-benzylpiperazin-1-yl)-1-(5-phenylthiophen-2-yl)propan-1-one;dihydrochloride
CID 10298423
1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861149
5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanone
CID 154098737
1-[5-(2-aminophenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861162
5-phenylthiophene-2-carbothioate
CID 86737927
3-(2-pyrrolidin-1-ylacetyl)benzoic acid
CID 115039403
N-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide
CID 58924448
1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone
CID 54451511
4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]benzoic acid
CID 58256876

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone (CID 90861887) is 1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)c1ccc(-c2ccccc2)s1.
What is the InChIKey of 1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone?
The InChIKey is MRGGQCSXDSNVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c19-15(13-18-11-5-2-6-12-18)17-10-9-16(20-17)14-7-3-1-4-8-14/h1,3-4,7-10H,2,5-6,11-13H2.
What are the key properties of 1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone?
1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone has a molecular weight of 285.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 90861887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).