(3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one

C20H22N4OS — CID 92708934

IUPAC(3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one
SMILESO=C(C[C@H](c1cccs1)n1cccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H22N4OS/c25-20(16-17(18-6-5-15-26-18)22-9-3-4-10-22)24-13-11-23(12-14-24)19-7-1-2-8-21-19/h1-10,15,17H,11-14,16H2/t17-/m1/s1
InChIKeyDRSIHPIXSJAPIM-QGZVFWFLSA-N
MW366.49 g/mol
LogP3.27
Rot. Bonds5

About (3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one

(3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one (PubChem CID 92708934) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is (3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name(3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one
PubChem CID92708934
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name(3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one
SMILESO=C(C[C@H](c1cccs1)n1cccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H22N4OS/c25-20(16-17(18-6-5-15-26-18)22-9-3-4-10-22)24-13-11-23(12-14-24)19-7-1-2-8-21-19/h1-10,15,17H,11-14,16H2/t17-/m1/s1
InChIKeyDRSIHPIXSJAPIM-QGZVFWFLSA-N
XLogP3.27
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one with MolForge

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Related Compounds

1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 9119477
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
(3S)-3-methyl-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide
CID 7318894
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 42950439
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide
CID 51100747
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one?
The IUPAC name of (3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one (CID 92708934) is (3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for (3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for (3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one is O=C(C[C@H](c1cccs1)n1cccc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one?
The InChIKey is DRSIHPIXSJAPIM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N4OS/c25-20(16-17(18-6-5-15-26-18)22-9-3-4-10-22)24-13-11-23(12-14-24)19-7-1-2-8-21-19/h1-10,15,17H,11-14,16H2/t17-/m1/s1.
What are the key properties of (3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one?
(3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one has a molecular weight of 366.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 92708934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).