1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one

C19H27N3O3 — CID 119564011

IUPAC1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCNC1CCN(C(=O)C2CC(=O)N(Cc3ccc(OC)cc3)C2)CC1
InChIInChI=1S/C19H27N3O3/c1-20-16-7-9-21(10-8-16)19(24)15-11-18(23)22(13-15)12-14-3-5-17(25-2)6-4-14/h3-6,15-16,20H,7-13H2,1-2H3
InChIKeyGSMVFVBQNQELLT-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.25
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one

1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 119564011) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID119564011
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCNC1CCN(C(=O)C2CC(=O)N(Cc3ccc(OC)cc3)C2)CC1
InChIInChI=1S/C19H27N3O3/c1-20-16-7-9-21(10-8-16)19(24)15-11-18(23)22(13-15)12-14-3-5-17(25-2)6-4-14/h3-6,15-16,20H,7-13H2,1-2H3
InChIKeyGSMVFVBQNQELLT-UHFFFAOYSA-N
XLogP1.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 119625408
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119413472
1-(4-methoxyphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119563790
(3S)-1-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 95282393
1-[(4-methoxyphenyl)methyl]-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 24720670
(2R)-2-[4-[(3S)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-prop-2-ynylpropanamide
CID 96522892
1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42997864
1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119623169
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
1-[(4-methoxyphenyl)methyl]-4-(1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carbonyl)pyrrolidin-2-one
CID 20881289
cis-(1R,3S)-3-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679068

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one (CID 119564011) is 1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one is CNC1CCN(C(=O)C2CC(=O)N(Cc3ccc(OC)cc3)C2)CC1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is GSMVFVBQNQELLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-20-16-7-9-21(10-8-16)19(24)15-11-18(23)22(13-15)12-14-3-5-17(25-2)6-4-14/h3-6,15-16,20H,7-13H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 345.44 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 119564011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).