N-[(3-hydroxypiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide

C12H18N2O2S — CID 77093360

IUPACN-[(3-hydroxypiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC1(O)CCCNC1
InChIInChI=1S/C12H18N2O2S/c15-11(7-10-3-1-6-17-10)14-9-12(16)4-2-5-13-8-12/h1,3,6,13,16H,2,4-5,7-9H2,(H,14,15)
InChIKeyMEGYZKWTCTUYRY-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.52
Rot. Bonds4

About N-[(3-hydroxypiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide

N-[(3-hydroxypiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 77093360) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[(3-hydroxypiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-hydroxypiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID77093360
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[(3-hydroxypiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC1(O)CCCNC1
InChIInChI=1S/C12H18N2O2S/c15-11(7-10-3-1-6-17-10)14-9-12(16)4-2-5-13-8-12/h1,3,6,13,16H,2,4-5,7-9H2,(H,14,15)
InChIKeyMEGYZKWTCTUYRY-UHFFFAOYSA-N
XLogP0.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Cambridge id 7020648
CID 2924363
N-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 71981871
N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 72115931
N-[3-(morpholin-4-yl)propyl]-2-(thiophen-2-yl)acetamide
CID 2582267
1-(2-Thienylacetyl)-4-piperidinecarboxamide
CID 762561
N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)-2-(thiophen-2-yl)acetamide
CID 16895530
N-((1-hydroxycyclopentyl)methyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 49718026
N-(2-cyclopropyl-2-hydroxypropyl)-2-(thiophen-2-yl)acetamide
CID 52992730
N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 56765191
3-(Pyrrolidin-1-ylmethyl)-1-[4-(2-thienyl)butanoyl]piperidin-3-ol
CID 70726337
N-(2-hydroxy-2-methyl-4-(methylthio)butyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 71787315
N-(3-hydroxy-4,4-dimethylpentyl)-2-(thiophen-2-yl)acetamide
CID 71787573

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3-hydroxypiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide (CID 77093360) is N-[(3-hydroxypiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3-hydroxypiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3-hydroxypiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCC1(O)CCCNC1.
What is the InChIKey of N-[(3-hydroxypiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is MEGYZKWTCTUYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-11(7-10-3-1-6-17-10)14-9-12(16)4-2-5-13-8-12/h1,3,6,13,16H,2,4-5,7-9H2,(H,14,15).
What are the key properties of N-[(3-hydroxypiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide?
N-[(3-hydroxypiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 254.35 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 77093360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).