1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C17H29N3O3 — CID 71880063

IUPAC1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CCC(CNC(=O)C2CC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C17H29N3O3/c1-23-9-8-19-6-4-13(5-7-19)11-18-17(22)14-10-16(21)20(12-14)15-2-3-15/h13-15H,2-12H2,1H3,(H,18,22)
InChIKeyHQWXKJOKAPBEPG-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.47
Rot. Bonds7

About 1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide

1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 71880063) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID71880063
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CCC(CNC(=O)C2CC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C17H29N3O3/c1-23-9-8-19-6-4-13(5-7-19)11-18-17(22)14-10-16(21)20(12-14)15-2-3-15/h13-15H,2-12H2,1H3,(H,18,22)
InChIKeyHQWXKJOKAPBEPG-UHFFFAOYSA-N
XLogP0.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47022144
(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 94869872
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846
1-cyclohexyl-N-(cyclopentylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 110627517
(3R)-1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 25455641
(3R)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030812
(3S)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030810
N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3244152
1-cyclopropyl-N-[(2R)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 83032066
1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 45248237

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 71880063) is 1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide is COCCN1CCC(CNC(=O)C2CC(=O)N(C3CC3)C2)CC1.
What is the InChIKey of 1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HQWXKJOKAPBEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-23-9-8-19-6-4-13(5-7-19)11-18-17(22)14-10-16(21)20(12-14)15-2-3-15/h13-15H,2-12H2,1H3,(H,18,22).
What are the key properties of 1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71880063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).