1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one

C17H23N3O2 — CID 119649565

IUPAC1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCNCC1CCCN1C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H23N3O2/c1-18-12-15-4-2-11-20(15)17(22)13-6-8-14(9-7-13)19-10-3-5-16(19)21/h6-9,15,18H,2-5,10-12H2,1H3
InChIKeyKPFFKJDBFFBOJP-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.64
Rot. Bonds4

About 1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one

1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 119649565) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID119649565
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCNCC1CCCN1C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H23N3O2/c1-18-12-15-4-2-11-20(15)17(22)13-6-8-14(9-7-13)19-10-3-5-16(19)21/h6-9,15,18H,2-5,10-12H2,1H3
InChIKeyKPFFKJDBFFBOJP-UHFFFAOYSA-N
XLogP1.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 110619098
(4-chlorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650883
(4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650241
(4-ethylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651635
(4-hydroxy-3-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 107672250
3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 119649146
[4-(1,3-dithiolan-2-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650154
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
N-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
CID 119649550
(4-butoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81486913
[4-(difluoromethoxy)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484657
1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 51338954

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 119649565) is 1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one is CNCC1CCCN1C(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is KPFFKJDBFFBOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-18-12-15-4-2-11-20(15)17(22)13-6-8-14(9-7-13)19-10-3-5-16(19)21/h6-9,15,18H,2-5,10-12H2,1H3.
What are the key properties of 1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 119649565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).