(4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone

C13H15N3OS — CID 136579926

IUPAC(4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C13H15N3OS/c17-13(12-2-1-9-18-12)15-6-3-11(4-7-15)16-8-5-14-10-16/h1-2,5,8-11H,3-4,6-7H2
InChIKeyYUFVCRPHTUTXOI-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.42
Rot. Bonds2

About (4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone

(4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone (PubChem CID 136579926) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is (4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone
PubChem CID136579926
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name(4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C13H15N3OS/c17-13(12-2-1-9-18-12)15-6-3-11(4-7-15)16-8-5-14-10-16/h1-2,5,8-11H,3-4,6-7H2
InChIKeyYUFVCRPHTUTXOI-UHFFFAOYSA-N
XLogP2.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone
CID 45251461
(4-chlorophenyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 47089047
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
[4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 29000933
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 83280787
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710651

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone (CID 136579926) is (4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(n2ccnc2)CC1.
What is the InChIKey of (4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is YUFVCRPHTUTXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-13(12-2-1-9-18-12)15-6-3-11(4-7-15)16-8-5-14-10-16/h1-2,5,8-11H,3-4,6-7H2.
What are the key properties of (4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone?
(4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 261.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 136579926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).