1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one

C18H27N3O2 — CID 47520269

IUPAC1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCN(CCCN2CCCC2=O)CC1
InChIInChI=1S/C18H27N3O2/c1-23-17-7-3-2-6-16(17)20-14-12-19(13-15-20)9-5-11-21-10-4-8-18(21)22/h2-3,6-7H,4-5,8-15H2,1H3
InChIKeyKVCIQEXPEDUZSB-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.83
Rot. Bonds6

About 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one

1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 47520269) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
PubChem CID47520269
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCN(CCCN2CCCC2=O)CC1
InChIInChI=1S/C18H27N3O2/c1-23-17-7-3-2-6-16(17)20-14-12-19(13-15-20)9-5-11-21-10-4-8-18(21)22/h2-3,6-7H,4-5,8-15H2,1H3
InChIKeyKVCIQEXPEDUZSB-UHFFFAOYSA-N
XLogP1.83
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520387
1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]azocan-2-one
CID 15724479
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-methyl-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one;hydrate;hydrochloride
CID 19881087
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-3,4-dihydroisoquinolin-1-one
CID 44582187
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,4,6,6-tetramethylazepan-2-one
CID 139624835
1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
CID 54755411
butanedioic acid;1-[[5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one
CID 46905409
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-thia-3-azaspiro[4.4]nonan-4-one
CID 10692544
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one (CID 47520269) is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one is COc1ccccc1N1CCN(CCCN2CCCC2=O)CC1.
What is the InChIKey of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is KVCIQEXPEDUZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-23-17-7-3-2-6-16(17)20-14-12-19(13-15-20)9-5-11-21-10-4-8-18(21)22/h2-3,6-7H,4-5,8-15H2,1H3.
What are the key properties of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 317.43 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 47520269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).