N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide

C18H25N3O4 — CID 119341765

IUPACN-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)C3CCCCN3)C2=O)c1
InChIInChI=1S/C18H25N3O4/c1-24-13-9-12(10-14(11-13)25-2)21-8-6-16(18(21)23)20-17(22)15-5-3-4-7-19-15/h9-11,15-16,19H,3-8H2,1-2H3,(H,20,22)
InChIKeyGRMQEOFCOZAHSS-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.07
Rot. Bonds5

About N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide

N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide (PubChem CID 119341765) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide
PubChem CID119341765
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)C3CCCCN3)C2=O)c1
InChIInChI=1S/C18H25N3O4/c1-24-13-9-12(10-14(11-13)25-2)21-8-6-16(18(21)23)20-17(22)15-5-3-4-7-19-15/h9-11,15-16,19H,3-8H2,1-2H3,(H,20,22)
InChIKeyGRMQEOFCOZAHSS-UHFFFAOYSA-N
XLogP1.07
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119341782
2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119815353
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]prop-2-enamide
CID 166406195
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 119336385
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 119321185
N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide
CID 104954776
2-(cyclopropylmethylamino)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119815372
N-[(3S)-1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]cycloheptene-1-carboxamide
CID 99698621
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637992
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 120991674
(2S)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119322682
4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride
CID 119341784

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide?
The IUPAC name of N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide (CID 119341765) is N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide is COc1cc(OC)cc(N2CCC(NC(=O)C3CCCCN3)C2=O)c1.
What is the InChIKey of N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide?
The InChIKey is GRMQEOFCOZAHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-13-9-12(10-14(11-13)25-2)21-8-6-16(18(21)23)20-17(22)15-5-3-4-7-19-15/h9-11,15-16,19H,3-8H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide?
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide is sourced from PubChem (CID 119341765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).