(3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone

C18H23N3OS — CID 99627550

IUPAC(3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone
SMILESCCc1cnccc1C(=O)N1CCN([C@H](C)c2ccsc2)CC1
InChIInChI=1S/C18H23N3OS/c1-3-15-12-19-6-4-17(15)18(22)21-9-7-20(8-10-21)14(2)16-5-11-23-13-16/h4-6,11-14H,3,7-10H2,1-2H3/t14-/m1/s1
InChIKeyXFPFTDNNDINSIG-CQSZACIVSA-N
MW329.47 g/mol
LogP3.22
Rot. Bonds4

About (3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone

(3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone (PubChem CID 99627550) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone
PubChem CID99627550
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone
SMILESCCc1cnccc1C(=O)N1CCN([C@H](C)c2ccsc2)CC1
InChIInChI=1S/C18H23N3OS/c1-3-15-12-19-6-4-17(15)18(22)21-9-7-20(8-10-21)14(2)16-5-11-23-13-16/h4-6,11-14H,3,7-10H2,1-2H3/t14-/m1/s1
InChIKeyXFPFTDNNDINSIG-CQSZACIVSA-N
XLogP3.22
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone 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

[3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105068725
2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone
CID 86793513
(5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 75508127
cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 86793524
(2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one
CID 99625769
3-[4-(1-thiophen-3-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one
CID 136531723
N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308401
(3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 105069851
(4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 105066571
(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 166268517
N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide
CID 131960827
N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308581

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone?
The IUPAC name of (3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone (CID 99627550) is (3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone is CCc1cnccc1C(=O)N1CCN([C@H](C)c2ccsc2)CC1.
What is the InChIKey of (3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone?
The InChIKey is XFPFTDNNDINSIG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-3-15-12-19-6-4-17(15)18(22)21-9-7-20(8-10-21)14(2)16-5-11-23-13-16/h4-6,11-14H,3,7-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone?
(3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone has a molecular weight of 329.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 99627550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).