4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one

C20H29N3O3 — CID 119594540

IUPAC4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C)cc1N1CC(C(=O)N2CCCC(C(C)N)C2)CC1=O
InChIInChI=1S/C20H29N3O3/c1-13-6-7-18(26-3)17(9-13)23-12-16(10-19(23)24)20(25)22-8-4-5-15(11-22)14(2)21/h6-7,9,14-16H,4-5,8,10-12,21H2,1-3H3
InChIKeyGLACFMVZBGJPGE-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.94
Rot. Bonds4

About 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one

4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one (PubChem CID 119594540) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
PubChem CID119594540
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C)cc1N1CC(C(=O)N2CCCC(C(C)N)C2)CC1=O
InChIInChI=1S/C20H29N3O3/c1-13-6-7-18(26-3)17(9-13)23-12-16(10-19(23)24)20(25)22-8-4-5-15(11-22)14(2)21/h6-7,9,14-16H,4-5,8,10-12,21H2,1-3H3
InChIKeyGLACFMVZBGJPGE-UHFFFAOYSA-N
XLogP1.94
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119596516
(4R)-1-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 41025662
1-(2-methoxy-5-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561638
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119518045
1-(2-methoxy-5-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119401734
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119636918
1-(2-methoxy-5-methylphenyl)-5-oxo-N,N-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 56530400
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 120816065
2-[4-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55438771
4-(3-aminopiperidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 119378594
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 41025446
1-(2-methoxy-5-methylphenyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120995428

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one (CID 119594540) is 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one is COc1ccc(C)cc1N1CC(C(=O)N2CCCC(C(C)N)C2)CC1=O.
What is the InChIKey of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one?
The InChIKey is GLACFMVZBGJPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-13-6-7-18(26-3)17(9-13)23-12-16(10-19(23)24)20(25)22-8-4-5-15(11-22)14(2)21/h6-7,9,14-16H,4-5,8,10-12,21H2,1-3H3.
What are the key properties of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one?
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 119594540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).