1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone

C20H27N3O2S — CID 58181239

IUPAC1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(CCc3csc(CCCO)c3)nc2)CC1
InChIInChI=1S/C20H27N3O2S/c1-16(25)22-8-10-23(11-9-22)19-7-6-18(21-14-19)5-4-17-13-20(26-15-17)3-2-12-24/h6-7,13-15,24H,2-5,8-12H2,1H3
InChIKeyKTIMBVLJYNYETQ-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.52
Rot. Bonds7

About 1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone

1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 58181239) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
PubChem CID58181239
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(CCc3csc(CCCO)c3)nc2)CC1
InChIInChI=1S/C20H27N3O2S/c1-16(25)22-8-10-23(11-9-22)19-7-6-18(21-14-19)5-4-17-13-20(26-15-17)3-2-12-24/h6-7,13-15,24H,2-5,8-12H2,1H3
InChIKeyKTIMBVLJYNYETQ-UHFFFAOYSA-N
XLogP2.52
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[6-[2-[4-(aminomethyl)phenyl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 58181336
[4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]-aminocarbamic acid
CID 141250268
[4-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methyl 2-aminoacetate
CID 58181358
1-[4-[6-[2-[5-[amino(ethyl)amino]thiophen-2-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 174614522
1-[[3-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methyl]-1-aminourea;trihydrochloride
CID 67267228
1-[4-[6-(2,2-dimethylpropyl)-3-pyridinyl]piperazin-1-yl]ethanone
CID 135157721
tert-butyl 4-[6-[2-[4-(2-hydroxyethyl)phenyl]ethyl]-3-pyridinyl]piperazine-1-carboxylate
CID 67029992
2-[5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophen-2-yl]ethyl N-aminocarbamate
CID 67267295
[5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophen-2-yl] propanoate
CID 91363189
1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 83131846
5-[2-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]thiophene-2-carbohydrazide;tert-butyl formate
CID 174614422
1-[4-[4-[2-(4-methylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone
CID 59546040

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone (CID 58181239) is 1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(CCc3csc(CCCO)c3)nc2)CC1.
What is the InChIKey of 1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is KTIMBVLJYNYETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-16(25)22-8-10-23(11-9-22)19-7-6-18(21-14-19)5-4-17-13-20(26-15-17)3-2-12-24/h6-7,13-15,24H,2-5,8-12H2,1H3.
What are the key properties of 1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 373.52 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[2-[5-(3-hydroxypropyl)thiophen-3-yl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 58181239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).