(3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one

C19H21FN2O2 — CID 93321115

IUPAC(3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
SMILESCOc1ccc(CN2CCN(c3cccc(F)c3)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C19H21FN2O2/c1-14-19(23)22(17-5-3-4-16(20)12-17)11-10-21(14)13-15-6-8-18(24-2)9-7-15/h3-9,12,14H,10-11,13H2,1-2H3/t14-/m0/s1
InChIKeyDQKDFTSDLUJQKF-AWEZNQCLSA-N
MW328.39 g/mol
LogP3.07
Rot. Bonds4

About (3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one

(3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one (PubChem CID 93321115) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
PubChem CID93321115
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
SMILESCOc1ccc(CN2CCN(c3cccc(F)c3)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C19H21FN2O2/c1-14-19(23)22(17-5-3-4-16(20)12-17)11-10-21(14)13-15-6-8-18(24-2)9-7-15/h3-9,12,14H,10-11,13H2,1-2H3/t14-/m0/s1
InChIKeyDQKDFTSDLUJQKF-AWEZNQCLSA-N
XLogP3.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24715881
4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035768
(3S)-1-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93321187
4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035767
1-(2,3-dimethylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 24716577
4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716569
(3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one
CID 93114266
(3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 93321027
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 56900389
4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 24719502
1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24716309
(3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93292204

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one?
The IUPAC name of (3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one (CID 93321115) is (3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one is COc1ccc(CN2CCN(c3cccc(F)c3)C(=O)[C@@H]2C)cc1.
What is the InChIKey of (3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one?
The InChIKey is DQKDFTSDLUJQKF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14-19(23)22(17-5-3-4-16(20)12-17)11-10-21(14)13-15-6-8-18(24-2)9-7-15/h3-9,12,14H,10-11,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one?
(3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one has a molecular weight of 328.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 93321115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).