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

C17H20N2O2S — CID 71968026

IUPAC(3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone
SMILESO=C(c1cccc(NCc2ccsc2)c1)N1CCCC(O)C1
InChIInChI=1S/C17H20N2O2S/c20-16-5-2-7-19(11-16)17(21)14-3-1-4-15(9-14)18-10-13-6-8-22-12-13/h1,3-4,6,8-9,12,16,18,20H,2,5,7,10-11H2
InChIKeyNGDXJEOFRIFFSP-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.96
Rot. Bonds4

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

(3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone (PubChem CID 71968026) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone
PubChem CID71968026
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone
SMILESO=C(c1cccc(NCc2ccsc2)c1)N1CCCC(O)C1
InChIInChI=1S/C17H20N2O2S/c20-16-5-2-7-19(11-16)17(21)14-3-1-4-15(9-14)18-10-13-6-8-22-12-13/h1,3-4,6,8-9,12,16,18,20H,2,5,7,10-11H2
InChIKeyNGDXJEOFRIFFSP-UHFFFAOYSA-N
XLogP2.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 146104522
[3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 95175600
[3-[(2,3-difluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 111777953
(3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone
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[3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 111122402
(3-hydroxypiperidin-1-yl)-[3-(2-phenoxyethylamino)phenyl]methanone
CID 71978123
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
(3-hydroxypiperidin-1-yl)-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone
CID 71997949
(3-hydroxypiperidin-1-yl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 111536594
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 60527564

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone (CID 71968026) is (3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone is O=C(c1cccc(NCc2ccsc2)c1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone?
The InChIKey is NGDXJEOFRIFFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-16-5-2-7-19(11-16)17(21)14-3-1-4-15(9-14)18-10-13-6-8-22-12-13/h1,3-4,6,8-9,12,16,18,20H,2,5,7,10-11H2.
What are the key properties of (3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone?
(3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone has a molecular weight of 316.43 g/mol, XLogP of 2.96, 4 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-(thiophen-3-ylmethylamino)phenyl]methanone is sourced from PubChem (CID 71968026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).