4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one

C20H29FN4O3 — CID 45202492

IUPAC4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCOCCN1CCN(C(=O)CC2C(=O)NCCN2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H29FN4O3/c1-28-13-12-23-8-10-24(11-9-23)19(26)14-18-20(27)22-6-7-25(18)15-16-2-4-17(21)5-3-16/h2-5,18H,6-15H2,1H3,(H,22,27)
InChIKeyHAWXAXSQNAPPLD-UHFFFAOYSA-N
MW392.48 g/mol
LogP0.31
Rot. Bonds7

About 4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one

4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one (PubChem CID 45202492) has the molecular formula C20H29FN4O3 and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
PubChem CID45202492
Molecular FormulaC20H29FN4O3
Molecular Weight392.48 g/mol
Exact Mass392.22
IUPAC Name4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCOCCN1CCN(C(=O)CC2C(=O)NCCN2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H29FN4O3/c1-28-13-12-23-8-10-24(11-9-23)19(26)14-18-20(27)22-6-7-25(18)15-16-2-4-17(21)5-3-16/h2-5,18H,6-15H2,1H3,(H,22,27)
InChIKeyHAWXAXSQNAPPLD-UHFFFAOYSA-N
XLogP0.31
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one with MolForge

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Related Compounds

4-(furan-3-ylmethyl)-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 45170722
methyl 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 29231924
3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one
CID 45191923
ethyl 4-[2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate
CID 45220215
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(4-chloro-3-fluorophenyl)methyl]piperazin-2-one
CID 45201011
(3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95711036
3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(3-fluorophenyl)methyl]piperazin-2-one
CID 45243475
4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 50968053
4-[(4-methylphenyl)methyl]-3-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 45214722
(3R)-4-[(2-fluorophenyl)methyl]-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 42595229
4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 56911735

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one (CID 45202492) is 4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one is COCCN1CCN(C(=O)CC2C(=O)NCCN2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one?
The InChIKey is HAWXAXSQNAPPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O3/c1-28-13-12-23-8-10-24(11-9-23)19(26)14-18-20(27)22-6-7-25(18)15-16-2-4-17(21)5-3-16/h2-5,18H,6-15H2,1H3,(H,22,27).
What are the key properties of 4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one?
4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one has a molecular weight of 392.48 g/mol, XLogP of 0.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 45202492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).