[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone

C19H23N3OS — CID 138030684

IUPAC[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone
SMILESO=C([C@@H]1C[C@H]1c1ccsc1)N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C19H23N3OS/c23-19(18-13-17(18)16-4-12-24-14-16)22-10-8-21(9-11-22)7-3-15-1-5-20-6-2-15/h1-2,4-6,12,14,17-18H,3,7-11,13H2/t17-,18+/m0/s1
InChIKeyJHGFEOMPFSXOQC-ZWKOTPCHSA-N
MW341.48 g/mol
LogP2.63
Rot. Bonds5

About [4-(2-pyridin-4-ylethyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone

[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone (PubChem CID 138030684) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is [4-(2-pyridin-4-ylethyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone
PubChem CID138030684
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone
SMILESO=C([C@@H]1C[C@H]1c1ccsc1)N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C19H23N3OS/c23-19(18-13-17(18)16-4-12-24-14-16)22-10-8-21(9-11-22)7-3-15-1-5-20-6-2-15/h1-2,4-6,12,14,17-18H,3,7-11,13H2/t17-,18+/m0/s1
InChIKeyJHGFEOMPFSXOQC-ZWKOTPCHSA-N
XLogP2.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2-pyridin-4-ylethyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone with MolForge

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Related Compounds

[2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 56820079
[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 95590694
[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 110629306
[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 94532765
(2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone
CID 174960082
3,4-dimethyl-6-[4-(2-phenylethyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 6469252
(E)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 47035127
tert-butyl 4-(2-pyridin-4-ylethyl)piperazine-1-carboxylate
CID 22321631
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 110281141
[(1S,2S)-2-phenylcyclopropyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 95582058
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 94532811

Frequently Asked Questions

What is the IUPAC name of [4-(2-pyridin-4-ylethyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone?
The IUPAC name of [4-(2-pyridin-4-ylethyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone (CID 138030684) is [4-(2-pyridin-4-ylethyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone.
What is the SMILES notation for [4-(2-pyridin-4-ylethyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone?
The canonical SMILES for [4-(2-pyridin-4-ylethyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone is O=C([C@@H]1C[C@H]1c1ccsc1)N1CCN(CCc2ccncc2)CC1.
What is the InChIKey of [4-(2-pyridin-4-ylethyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone?
The InChIKey is JHGFEOMPFSXOQC-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H23N3OS/c23-19(18-13-17(18)16-4-12-24-14-16)22-10-8-21(9-11-22)7-3-15-1-5-20-6-2-15/h1-2,4-6,12,14,17-18H,3,7-11,13H2/t17-,18+/m0/s1.
What are the key properties of [4-(2-pyridin-4-ylethyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone?
[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone has a molecular weight of 341.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyridin-4-ylethyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone is sourced from PubChem (CID 138030684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).