1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one

C19H25N3OS — CID 96549454

IUPAC1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one
SMILESC[C@H](c1cccnc1)N1CCN(C(=O)CCCc2cccs2)CC1
InChIInChI=1S/C19H25N3OS/c1-16(17-5-3-9-20-15-17)21-10-12-22(13-11-21)19(23)8-2-6-18-7-4-14-24-18/h3-5,7,9,14-16H,2,6,8,10-13H2,1H3/t16-/m1/s1
InChIKeyJXDJGRYOVGMVDI-MRXNPFEDSA-N
MW343.50 g/mol
LogP3.37
Rot. Bonds6

About 1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one

1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one (PubChem CID 96549454) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one
PubChem CID96549454
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one
SMILESC[C@H](c1cccnc1)N1CCN(C(=O)CCCc2cccs2)CC1
InChIInChI=1S/C19H25N3OS/c1-16(17-5-3-9-20-15-17)21-10-12-22(13-11-21)19(23)8-2-6-18-7-4-14-24-18/h3-5,7,9,14-16H,2,6,8,10-13H2,1H3/t16-/m1/s1
InChIKeyJXDJGRYOVGMVDI-MRXNPFEDSA-N
XLogP3.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-oxo-N-propan-2-yl-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide
CID 51305589
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 70761084
1-(4-hydroxy-4-methylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 80706917
(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903305
1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 95325652
4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
CID 96549824
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110420377
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 112794619
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]ethanone
CID 127323032
furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 60548232

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one (CID 96549454) is 1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one is C[C@H](c1cccnc1)N1CCN(C(=O)CCCc2cccs2)CC1.
What is the InChIKey of 1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one?
The InChIKey is JXDJGRYOVGMVDI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-16(17-5-3-9-20-15-17)21-10-12-22(13-11-21)19(23)8-2-6-18-7-4-14-24-18/h3-5,7,9,14-16H,2,6,8,10-13H2,1H3/t16-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one?
1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one has a molecular weight of 343.50 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 96549454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).