1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one

C19H28N4O2 — CID 95302662

IUPAC1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one
SMILESCC(C)[C@H](C(=O)N1CCN(Cc2ccncc2)CC1)N1CCCC1=O
InChIInChI=1S/C19H28N4O2/c1-15(2)18(23-9-3-4-17(23)24)19(25)22-12-10-21(11-13-22)14-16-5-7-20-8-6-16/h5-8,15,18H,3-4,9-14H2,1-2H3/t18-/m1/s1
InChIKeyZCGLSZFQBUHZPN-GOSISDBHSA-N
MW344.46 g/mol
LogP1.37
Rot. Bonds5

About 1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one

1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one (PubChem CID 95302662) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one
PubChem CID95302662
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one
SMILESCC(C)[C@H](C(=O)N1CCN(Cc2ccncc2)CC1)N1CCCC1=O
InChIInChI=1S/C19H28N4O2/c1-15(2)18(23-9-3-4-17(23)24)19(25)22-12-10-21(11-13-22)14-16-5-7-20-8-6-16/h5-8,15,18H,3-4,9-14H2,1-2H3/t18-/m1/s1
InChIKeyZCGLSZFQBUHZPN-GOSISDBHSA-N
XLogP1.37
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 103515239
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CID 94027968
5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one
CID 104684308
1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one
CID 110921329
2-[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]isoindole-1,3-dione
CID 4216596
3-amino-4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanamide
CID 60938311
1-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride
CID 119418070
1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one
CID 55429669
2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]benzamide
CID 9226292
2-(4-phenylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 55606778
1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 60953087
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one (CID 95302662) is 1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one is CC(C)[C@H](C(=O)N1CCN(Cc2ccncc2)CC1)N1CCCC1=O.
What is the InChIKey of 1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one?
The InChIKey is ZCGLSZFQBUHZPN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15(2)18(23-9-3-4-17(23)24)19(25)22-12-10-21(11-13-22)14-16-5-7-20-8-6-16/h5-8,15,18H,3-4,9-14H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one?
1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one has a molecular weight of 344.46 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 95302662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).