1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride

C21H26ClFN4O2 — CID 120754386

IUPAC1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccnc1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H25FN4O2.ClH/c22-18-5-3-16(4-6-18)20-14-26(10-11-28-20)21(27)15-25-9-8-24-13-19(25)17-2-1-7-23-12-17;/h1-7,12,19-20,24H,8-11,13-15H2;1H
InChIKeyRTABTPBCRXVWKM-UHFFFAOYSA-N
MW420.92 g/mol
LogP2.19
Rot. Bonds4

About 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride

1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 120754386) has the molecular formula C21H26ClFN4O2 and a molecular weight of 420.92 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID120754386
Molecular FormulaC21H26ClFN4O2
Molecular Weight420.92 g/mol
Exact Mass420.17
IUPAC Name1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccnc1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H25FN4O2.ClH/c22-18-5-3-16(4-6-18)20-14-26(10-11-28-20)21(27)15-25-9-8-24-13-19(25)17-2-1-7-23-12-17;/h1-7,12,19-20,24H,8-11,13-15H2;1H
InChIKeyRTABTPBCRXVWKM-UHFFFAOYSA-N
XLogP2.19
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride with MolForge

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120754690
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120755543
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755925
N-(cyclopropylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755106
1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile
CID 124614694
[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 60963365
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120869682
2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 120756389
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754464

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride (CID 120754386) is 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride is Cl.O=C(CN1CCNCC1c1cccnc1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is RTABTPBCRXVWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2.ClH/c22-18-5-3-16(4-6-18)20-14-26(10-11-28-20)21(27)15-25-9-8-24-13-19(25)17-2-1-7-23-12-17;/h1-7,12,19-20,24H,8-11,13-15H2;1H.
What are the key properties of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 420.92 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 120754386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).