1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one

C21H31N3O4 — CID 119648462

IUPAC1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCNCC1CCN(C(=O)C2CC(=O)N(c3cc(OC)cc(OC)c3)C2)CC1
InChIInChI=1S/C21H31N3O4/c1-4-22-13-15-5-7-23(8-6-15)21(26)16-9-20(25)24(14-16)17-10-18(27-2)12-19(11-17)28-3/h10-12,15-16,22H,4-9,13-14H2,1-3H3
InChIKeyCOHNZBFKAPGFAE-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.90
Rot. Bonds7

About 1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one

1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 119648462) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID119648462
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCNCC1CCN(C(=O)C2CC(=O)N(c3cc(OC)cc(OC)c3)C2)CC1
InChIInChI=1S/C21H31N3O4/c1-4-22-13-15-5-7-23(8-6-15)21(26)16-9-20(25)24(14-16)17-10-18(27-2)12-19(11-17)28-3/h10-12,15-16,22H,4-9,13-14H2,1-3H3
InChIKeyCOHNZBFKAPGFAE-UHFFFAOYSA-N
XLogP1.90
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119648461
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119413570
1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 9388657
1-(4-methoxyphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119563790
1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119544467
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one
CID 119646804
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 29129258
4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one;hydrochloride
CID 119545577
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one
CID 119623843
1-(4-methoxyphenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119398709
(2S)-1-[(3R)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 125120077

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 119648462) is 1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one is CCNCC1CCN(C(=O)C2CC(=O)N(c3cc(OC)cc(OC)c3)C2)CC1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is COHNZBFKAPGFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-4-22-13-15-5-7-23(8-6-15)21(26)16-9-20(25)24(14-16)17-10-18(27-2)12-19(11-17)28-3/h10-12,15-16,22H,4-9,13-14H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 389.50 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 119648462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).