(3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone

C16H19N3O2S — CID 146104522

IUPAC(3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone
SMILESO=C(c1cccc(NCc2cnsc2)c1)N1CCCC(O)C1
InChIInChI=1S/C16H19N3O2S/c20-15-5-2-6-19(10-15)16(21)13-3-1-4-14(7-13)17-8-12-9-18-22-11-12/h1,3-4,7,9,11,15,17,20H,2,5-6,8,10H2
InChIKeyYTXZTQBUSZIPFS-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.35
Rot. Bonds4

About (3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone

(3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone (PubChem CID 146104522) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone
PubChem CID146104522
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name(3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone
SMILESO=C(c1cccc(NCc2cnsc2)c1)N1CCCC(O)C1
InChIInChI=1S/C16H19N3O2S/c20-15-5-2-6-19(10-15)16(21)13-3-1-4-14(7-13)17-8-12-9-18-22-11-12/h1,3-4,7,9,11,15,17,20H,2,5-6,8,10H2
InChIKeyYTXZTQBUSZIPFS-UHFFFAOYSA-N
XLogP2.35
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(3-hydroxypiperidin-1-yl)-[3-(2-thiophen-2-ylethylamino)phenyl]methanone
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[3-[[(2S)-hex-5-en-2-yl]amino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
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N-[4-(difluoromethoxy)phenyl]-2-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]anilino]acetamide
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N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone (CID 146104522) is (3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone is O=C(c1cccc(NCc2cnsc2)c1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone?
The InChIKey is YTXZTQBUSZIPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-15-5-2-6-19(10-15)16(21)13-3-1-4-14(7-13)17-8-12-9-18-22-11-12/h1,3-4,7,9,11,15,17,20H,2,5-6,8,10H2.
What are the key properties of (3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone?
(3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone has a molecular weight of 317.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone is sourced from PubChem (CID 146104522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).