2-[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]chromen-4-one

C25H26FN3O3 — CID 42198354

IUPAC2-[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C25H26FN3O3/c26-20-8-2-3-9-21(20)28-14-12-27(13-15-28)18-6-5-11-29(17-18)25(31)24-16-22(30)19-7-1-4-10-23(19)32-24/h1-4,7-10,16,18H,5-6,11-15,17H2/t18-/m1/s1
InChIKeyYSWCVOCBWAESQF-GOSISDBHSA-N
MW435.50 g/mol
LogP3.36
Rot. Bonds3

About 2-[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]chromen-4-one

2-[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]chromen-4-one (PubChem CID 42198354) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name2-[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]chromen-4-one
PubChem CID42198354
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name2-[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C25H26FN3O3/c26-20-8-2-3-9-21(20)28-14-12-27(13-15-28)18-6-5-11-29(17-18)25(31)24-16-22(30)19-7-1-4-10-23(19)32-24/h1-4,7-10,16,18H,5-6,11-15,17H2/t18-/m1/s1
InChIKeyYSWCVOCBWAESQF-GOSISDBHSA-N
XLogP3.36
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 56887015
1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56818112
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 45187407
6-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one
CID 42198864
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 24817356
2-[(3R)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582758
2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one
CID 122255813
3-[1-(4-oxochromene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159763
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 45219211
2-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115969507
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115966240
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]chromen-4-one?
The IUPAC name of 2-[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]chromen-4-one (CID 42198354) is 2-[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 2-[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]chromen-4-one?
The canonical SMILES for 2-[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]chromen-4-one is O=C(c1cc(=O)c2ccccc2o1)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1.
What is the InChIKey of 2-[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]chromen-4-one?
The InChIKey is YSWCVOCBWAESQF-GOSISDBHSA-N. The full InChI is InChI=1S/C25H26FN3O3/c26-20-8-2-3-9-21(20)28-14-12-27(13-15-28)18-6-5-11-29(17-18)25(31)24-16-22(30)19-7-1-4-10-23(19)32-24/h1-4,7-10,16,18H,5-6,11-15,17H2/t18-/m1/s1.
What are the key properties of 2-[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]chromen-4-one?
2-[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]chromen-4-one has a molecular weight of 435.50 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 42198354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).