2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C19H23FN4O — CID 94333134

IUPAC2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESC[C@H](NCC(=O)N1CCN(c2ccccn2)CC1)c1cccc(F)c1
InChIInChI=1S/C19H23FN4O/c1-15(16-5-4-6-17(20)13-16)22-14-19(25)24-11-9-23(10-12-24)18-7-2-3-8-21-18/h2-8,13,15,22H,9-12,14H2,1H3/t15-/m0/s1
InChIKeySUOQEODWHFKDPZ-HNNXBMFYSA-N
MW342.42 g/mol
LogP2.22
Rot. Bonds5

About 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 94333134) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID94333134
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESC[C@H](NCC(=O)N1CCN(c2ccccn2)CC1)c1cccc(F)c1
InChIInChI=1S/C19H23FN4O/c1-15(16-5-4-6-17(20)13-16)22-14-19(25)24-11-9-23(10-12-24)18-7-2-3-8-21-18/h2-8,13,15,22H,9-12,14H2,1H3/t15-/m0/s1
InChIKeySUOQEODWHFKDPZ-HNNXBMFYSA-N
XLogP2.22
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 94333135
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81365567
1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone
CID 81364854
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 8688565
2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 112769455
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
3-[1-(2-chlorophenyl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55572653
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
N-[(2S)-1-[(3-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 56723865

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 94333134) is 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is C[C@H](NCC(=O)N1CCN(c2ccccn2)CC1)c1cccc(F)c1.
What is the InChIKey of 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is SUOQEODWHFKDPZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-15(16-5-4-6-17(20)13-16)22-14-19(25)24-11-9-23(10-12-24)18-7-2-3-8-21-18/h2-8,13,15,22H,9-12,14H2,1H3/t15-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 342.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 94333134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).