1-[2-(4-methoxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-5-methylpyrrolidin-2-one

C19H26N2O3 — CID 72861394

IUPAC1-[2-(4-methoxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-5-methylpyrrolidin-2-one
SMILESCOC1(c2ccccc2)CCN(C(=O)CN2C(=O)CCC2C)CC1
InChIInChI=1S/C19H26N2O3/c1-15-8-9-17(22)21(15)14-18(23)20-12-10-19(24-2,11-13-20)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyMDBKKYQYRDIMNZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.16
Rot. Bonds4

About 1-[2-(4-methoxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-5-methylpyrrolidin-2-one

1-[2-(4-methoxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-5-methylpyrrolidin-2-one (PubChem CID 72861394) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[2-(4-methoxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-methoxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-5-methylpyrrolidin-2-one
PubChem CID72861394
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[2-(4-methoxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-5-methylpyrrolidin-2-one
SMILESCOC1(c2ccccc2)CCN(C(=O)CN2C(=O)CCC2C)CC1
InChIInChI=1S/C19H26N2O3/c1-15-8-9-17(22)21(15)14-18(23)20-12-10-19(24-2,11-13-20)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyMDBKKYQYRDIMNZ-UHFFFAOYSA-N
XLogP2.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-4-phenylpiperidin-1-yl)ethanone
CID 126758606
(5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one
CID 97269883
(5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one
CID 97269882
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(4-methoxy-4-phenylpiperidin-1-yl)ethanone
CID 163315452
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone
CID 162353371
(3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 97123681
4-methoxy-4-phenylcyclohexan-1-one
CID 22492992
4-methoxy-1-nitroso-4-phenylpiperidine
CID 119087555
(4-methoxy-4-phenylpiperidin-1-yl)-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone
CID 95714009
4-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]benzoic acid
CID 59752145
1-benzyl-4-methoxy-4-phenylpiperidine
CID 170986894
[4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate
CID 15055617

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 1-[2-(4-methoxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-5-methylpyrrolidin-2-one (CID 72861394) is 1-[2-(4-methoxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-methoxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-methoxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-5-methylpyrrolidin-2-one is COC1(c2ccccc2)CCN(C(=O)CN2C(=O)CCC2C)CC1.
What is the InChIKey of 1-[2-(4-methoxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-5-methylpyrrolidin-2-one?
The InChIKey is MDBKKYQYRDIMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-15-8-9-17(22)21(15)14-18(23)20-12-10-19(24-2,11-13-20)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3.
What are the key properties of 1-[2-(4-methoxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-5-methylpyrrolidin-2-one?
1-[2-(4-methoxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-5-methylpyrrolidin-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 72861394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).