[4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone

C19H26F2N2O2 — CID 124847688

IUPAC[4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(C[C@@H](O)CC2CCCC2)CC1
InChIInChI=1S/C19H26F2N2O2/c20-15-5-6-17(18(21)12-15)19(25)23-9-7-22(8-10-23)13-16(24)11-14-3-1-2-4-14/h5-6,12,14,16,24H,1-4,7-11,13H2/t16-/m0/s1
InChIKeyLJAMMSHIEKHAAQ-INIZCTEOSA-N
MW352.43 g/mol
LogP2.66
Rot. Bonds5

About [4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone

[4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone (PubChem CID 124847688) has the molecular formula C19H26F2N2O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is [4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone
PubChem CID124847688
Molecular FormulaC19H26F2N2O2
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name[4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(C[C@@H](O)CC2CCCC2)CC1
InChIInChI=1S/C19H26F2N2O2/c20-15-5-6-17(18(21)12-15)19(25)23-9-7-22(8-10-23)13-16(24)11-14-3-1-2-4-14/h5-6,12,14,16,24H,1-4,7-11,13H2/t16-/m0/s1
InChIKeyLJAMMSHIEKHAAQ-INIZCTEOSA-N
XLogP2.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone with MolForge

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Related Compounds

(2,4-difluorophenyl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95328976
(2,4-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95604299
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63398395
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
(2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95345550
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride
CID 119465009
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
(2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585099

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone (CID 124847688) is [4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone is O=C(c1ccc(F)cc1F)N1CCN(C[C@@H](O)CC2CCCC2)CC1.
What is the InChIKey of [4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone?
The InChIKey is LJAMMSHIEKHAAQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26F2N2O2/c20-15-5-6-17(18(21)12-15)19(25)23-9-7-22(8-10-23)13-16(24)11-14-3-1-2-4-14/h5-6,12,14,16,24H,1-4,7-11,13H2/t16-/m0/s1.
What are the key properties of [4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone?
[4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone has a molecular weight of 352.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 124847688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).