N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C22H31N3O5 — CID 108552495

IUPACN-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)C3CC(=O)N(C(C)C)C3)CC2)cc1OC
InChIInChI=1S/C22H31N3O5/c1-14(2)25-13-16(12-20(25)26)21(27)23-17-7-9-24(10-8-17)22(28)15-5-6-18(29-3)19(11-15)30-4/h5-6,11,14,16-17H,7-10,12-13H2,1-4H3,(H,23,27)
InChIKeyOXDMCVIJTPOXFQ-UHFFFAOYSA-N
MW417.51 g/mol
LogP1.68
Rot. Bonds6

About N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 108552495) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID108552495
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC NameN-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)C3CC(=O)N(C(C)C)C3)CC2)cc1OC
InChIInChI=1S/C22H31N3O5/c1-14(2)25-13-16(12-20(25)26)21(27)23-17-7-9-24(10-8-17)22(28)15-5-6-18(29-3)19(11-15)30-4/h5-6,11,14,16-17H,7-10,12-13H2,1-4H3,(H,23,27)
InChIKeyOXDMCVIJTPOXFQ-UHFFFAOYSA-N
XLogP1.68
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552552
(E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide
CID 108935721
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 119330538
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552516
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119796031
3,4-dimethoxy-N-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 108935278
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide
CID 119330522
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552532
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552579
N,N-diethyl-4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxamide
CID 108560686
2-cyclopentyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108935675

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 108552495) is N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is COc1ccc(C(=O)N2CCC(NC(=O)C3CC(=O)N(C(C)C)C3)CC2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is OXDMCVIJTPOXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-14(2)25-13-16(12-20(25)26)21(27)23-17-7-9-24(10-8-17)22(28)15-5-6-18(29-3)19(11-15)30-4/h5-6,11,14,16-17H,7-10,12-13H2,1-4H3,(H,23,27).
What are the key properties of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 108552495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).