1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide

C18H25N3O4 — CID 119429326

IUPAC1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide
SMILESCOc1cc(OC)cc(N2CC(C(=O)NC3CCCNC3)CC2=O)c1
InChIInChI=1S/C18H25N3O4/c1-24-15-7-14(8-16(9-15)25-2)21-11-12(6-17(21)22)18(23)20-13-4-3-5-19-10-13/h7-9,12-13,19H,3-6,10-11H2,1-2H3,(H,20,23)
InChIKeyMXZGACQVHKMOJT-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.92
Rot. Bonds5

About 1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide

1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide (PubChem CID 119429326) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide
PubChem CID119429326
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide
SMILESCOc1cc(OC)cc(N2CC(C(=O)NC3CCCNC3)CC2=O)c1
InChIInChI=1S/C18H25N3O4/c1-24-15-7-14(8-16(9-15)25-2)21-11-12(6-17(21)22)18(23)20-13-4-3-5-19-10-13/h7-9,12-13,19H,3-6,10-11H2,1-2H3,(H,20,23)
InChIKeyMXZGACQVHKMOJT-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119459681
1-(3-bromophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide
CID 119428264
1-(2-bromophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide
CID 119425027
1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119424407
1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119453996
1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119454053
1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119426905
(3R)-N-cyclohexyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394498
6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 119427135
4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229943
N-(1-cyclopropylpiperidin-4-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46557750
5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119450293

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide (CID 119429326) is 1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide is COc1cc(OC)cc(N2CC(C(=O)NC3CCCNC3)CC2=O)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is MXZGACQVHKMOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-15-7-14(8-16(9-15)25-2)21-11-12(6-17(21)22)18(23)20-13-4-3-5-19-10-13/h7-9,12-13,19H,3-6,10-11H2,1-2H3,(H,20,23).
What are the key properties of 1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide?
1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 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-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 119429326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).