1-[(2-fluorophenyl)methyl]-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C20H22FN5O2 — CID 113183445

IUPAC1-[(2-fluorophenyl)methyl]-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCN(c3ncccn3)CC2)CN1Cc1ccccc1F
InChIInChI=1S/C20H22FN5O2/c21-17-5-2-1-4-15(17)13-26-14-16(12-18(26)27)19(28)24-8-10-25(11-9-24)20-22-6-3-7-23-20/h1-7,16H,8-14H2
InChIKeyOPRMLTXCKQSQJP-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.31
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

1-[(2-fluorophenyl)methyl]-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 113183445) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID113183445
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCN(c3ncccn3)CC2)CN1Cc1ccccc1F
InChIInChI=1S/C20H22FN5O2/c21-17-5-2-1-4-15(17)13-26-14-16(12-18(26)27)19(28)24-8-10-25(11-9-24)20-22-6-3-7-23-20/h1-7,16H,8-14H2
InChIKeyOPRMLTXCKQSQJP-UHFFFAOYSA-N
XLogP1.31
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzylpiperazine-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 113183434
1-[2-(2-fluorophenyl)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113184235
(4S)-1-(2-methylpropyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 36982278
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 46109895
(4S)-1-[(2-chlorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 97311082
4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 43003170
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46109813
(4R)-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 35697880
N-[(2-fluorophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135911
1-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22683234
2-(2-fluorophenoxy)-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)azetidin-1-yl]ethanone
CID 56764735
(4S)-1-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8551047

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 113183445) is 1-[(2-fluorophenyl)methyl]-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCN(c3ncccn3)CC2)CN1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is OPRMLTXCKQSQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c21-17-5-2-1-4-15(17)13-26-14-16(12-18(26)27)19(28)24-8-10-25(11-9-24)20-22-6-3-7-23-20/h1-7,16H,8-14H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-[(2-fluorophenyl)methyl]-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 383.43 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 113183445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).