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

C20H29N3O3 — CID 119437706

IUPAC4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2CC(C(=O)N3CCCCC3C(C)N)CC2=O)cc1
InChIInChI=1S/C20H29N3O3/c1-14(21)18-5-3-4-10-23(18)20(25)16-11-19(24)22(13-16)12-15-6-8-17(26-2)9-7-15/h6-9,14,16,18H,3-5,10-13,21H2,1-2H3
InChIKeyKXDYBKLTFLCNCR-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.77
Rot. Bonds5

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

4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 119437706) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID119437706
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2CC(C(=O)N3CCCCC3C(C)N)CC2=O)cc1
InChIInChI=1S/C20H29N3O3/c1-14(21)18-5-3-4-10-23(18)20(25)16-11-19(24)22(13-16)12-15-6-8-17(26-2)9-7-15/h6-9,14,16,18H,3-5,10-13,21H2,1-2H3
InChIKeyKXDYBKLTFLCNCR-UHFFFAOYSA-N
XLogP1.77
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119413472
(4-methoxyphenyl)methyl 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 24818198
1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119564011
(4S)-1-[(3-methoxyphenyl)methyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 93017947
(3S)-1-[(4-methoxyphenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 95280870
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 119625408
1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 56811909
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 119434412
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
(3R)-1-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 97351337
N-[2-(aminomethyl)cyclohexyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119612498
(3S)-1-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 95282393

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (CID 119437706) is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is COc1ccc(CN2CC(C(=O)N3CCCCC3C(C)N)CC2=O)cc1.
What is the InChIKey of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is KXDYBKLTFLCNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14(21)18-5-3-4-10-23(18)20(25)16-11-19(24)22(13-16)12-15-6-8-17(26-2)9-7-15/h6-9,14,16,18H,3-5,10-13,21H2,1-2H3.
What are the key properties of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 119437706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).