1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one

C18H24N2O3 — CID 72837856

IUPAC1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESCOc1ccccc1C1CCCN1C(=O)CN1CCCCC1=O
InChIInChI=1S/C18H24N2O3/c1-23-16-9-3-2-7-14(16)15-8-6-12-20(15)18(22)13-19-11-5-4-10-17(19)21/h2-3,7,9,15H,4-6,8,10-13H2,1H3
InChIKeyDQZMQDSNOFOHTJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.37
Rot. Bonds4

About 1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one

1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one (PubChem CID 72837856) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
PubChem CID72837856
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESCOc1ccccc1C1CCCN1C(=O)CN1CCCCC1=O
InChIInChI=1S/C18H24N2O3/c1-23-16-9-3-2-7-14(16)15-8-6-12-20(15)18(22)13-19-11-5-4-10-17(19)21/h2-3,7,9,15H,4-6,8,10-13H2,1H3
InChIKeyDQZMQDSNOFOHTJ-UHFFFAOYSA-N
XLogP2.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997579
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625391
4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one
CID 120562159
5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 45245591
1-[3-[3-(2-methoxyphenyl)-1,4-thiazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one
CID 167794865
3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119951145
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118763003
1-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 125156811
[4-(aminomethyl)phenyl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 119316524
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 118787227
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627664
(3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119771459

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one (CID 72837856) is 1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one is COc1ccccc1C1CCCN1C(=O)CN1CCCCC1=O.
What is the InChIKey of 1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
The InChIKey is DQZMQDSNOFOHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-23-16-9-3-2-7-14(16)15-8-6-12-20(15)18(22)13-19-11-5-4-10-17(19)21/h2-3,7,9,15H,4-6,8,10-13H2,1H3.
What are the key properties of 1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 72837856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).