1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide

C21H31N3O4 — CID 119826415

IUPAC1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(C(=O)C1CC(=O)N(c2cc(OC)cc(OC)c2)C1)C1CCNCC1
InChIInChI=1S/C21H31N3O4/c1-4-9-23(16-5-7-22-8-6-16)21(26)15-10-20(25)24(14-15)17-11-18(27-2)13-19(12-17)28-3/h11-13,15-16,22H,4-10,14H2,1-3H3
InChIKeyQYOLVHPTCUZTKF-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.05
Rot. Bonds7

About 1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide

1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide (PubChem CID 119826415) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide
PubChem CID119826415
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(C(=O)C1CC(=O)N(c2cc(OC)cc(OC)c2)C1)C1CCNCC1
InChIInChI=1S/C21H31N3O4/c1-4-9-23(16-5-7-22-8-6-16)21(26)15-10-20(25)24(14-15)17-11-18(27-2)13-19(12-17)28-3/h11-13,15-16,22H,4-10,14H2,1-3H3
InChIKeyQYOLVHPTCUZTKF-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylsulfanylphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide
CID 119825266
1-(2-methoxyphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119532928
1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride
CID 119823179
1-methyl-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide
CID 119824892
2-[cyclopropyl-[1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 122067236
1-(2,3-dimethylphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119532194
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid
CID 119205358
1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide
CID 119429326
1-methyl-2-oxo-N-piperidin-4-yl-N-propylpiperidine-4-carboxamide;hydrochloride
CID 119825327
1-(3-methoxyphenyl)-N-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 46564890
N-cyclohexyl-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 43053261
1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119444324

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide (CID 119826415) is 1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide is CCCN(C(=O)C1CC(=O)N(c2cc(OC)cc(OC)c2)C1)C1CCNCC1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide?
The InChIKey is QYOLVHPTCUZTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-4-9-23(16-5-7-22-8-6-16)21(26)15-10-20(25)24(14-15)17-11-18(27-2)13-19(12-17)28-3/h11-13,15-16,22H,4-10,14H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide?
1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 2.05, 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)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 119826415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).