1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one

C16H18ClN3OS — CID 71909914

IUPAC1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)N1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C16H18ClN3OS/c17-14-11-18-5-3-15(14)19-6-8-20(9-7-19)16(21)2-1-13-4-10-22-12-13/h3-5,10-12H,1-2,6-9H2
InChIKeyRHJUMXPPTCHWNP-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.08
Rot. Bonds4

About 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one

1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one (PubChem CID 71909914) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
PubChem CID71909914
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)N1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C16H18ClN3OS/c17-14-11-18-5-3-15(14)19-6-8-20(9-7-19)16(21)2-1-13-4-10-22-12-13/h3-5,10-12H,1-2,6-9H2
InChIKeyRHJUMXPPTCHWNP-UHFFFAOYSA-N
XLogP3.08
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one 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-pyridin-1-ium-2-ylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one
CID 8851941
1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70717959
1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133335378
3-pyridin-3-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 158724204
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 95345615
1-[4-(2-phenoxyethyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 86978435
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-[(1R)-2,2-dichlorocyclopropyl]methanone
CID 97242539
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133351756
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 55460883
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 8967681
1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one
CID 155562244

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one (CID 71909914) is 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one is O=C(CCc1ccsc1)N1CCN(c2ccncc2Cl)CC1.
What is the InChIKey of 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one?
The InChIKey is RHJUMXPPTCHWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c17-14-11-18-5-3-15(14)19-6-8-20(9-7-19)16(21)2-1-13-4-10-22-12-13/h3-5,10-12H,1-2,6-9H2.
What are the key properties of 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one?
1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one has a molecular weight of 335.86 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 71909914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).