(3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone

C18H22N2O2S — CID 86783784

IUPAC(3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone
SMILESO=C(c1cccc(NCCc2cccs2)c1)N1CCCC(O)C1
InChIInChI=1S/C18H22N2O2S/c21-16-6-2-10-20(13-16)18(22)14-4-1-5-15(12-14)19-9-8-17-7-3-11-23-17/h1,3-5,7,11-12,16,19,21H,2,6,8-10,13H2
InChIKeyRNEWIDJVZPTSHO-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.00
Rot. Bonds5

About (3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone

(3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone (PubChem CID 86783784) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone
PubChem CID86783784
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name(3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone
SMILESO=C(c1cccc(NCCc2cccs2)c1)N1CCCC(O)C1
InChIInChI=1S/C18H22N2O2S/c21-16-6-2-10-20(13-16)18(22)14-4-1-5-15(12-14)19-9-8-17-7-3-11-23-17/h1,3-5,7,11-12,16,19,21H,2,6,8-10,13H2
InChIKeyRNEWIDJVZPTSHO-UHFFFAOYSA-N
XLogP3.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(3-hydroxypiperidin-1-yl)-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone
CID 71997949
[3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 95175600
[3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
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(3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone
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[3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 99854647
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CID 52513679
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone (CID 86783784) is (3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone is O=C(c1cccc(NCCc2cccs2)c1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone?
The InChIKey is RNEWIDJVZPTSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c21-16-6-2-10-20(13-16)18(22)14-4-1-5-15(12-14)19-9-8-17-7-3-11-23-17/h1,3-5,7,11-12,16,19,21H,2,6,8-10,13H2.
What are the key properties of (3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone?
(3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone has a molecular weight of 330.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone is sourced from PubChem (CID 86783784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).