methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate

C15H26N2O3 — CID 168693086

IUPACmethyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate
SMILESCCCN1CCC(CN2CC(C(=O)OC)CC2=O)CC1
InChIInChI=1S/C15H26N2O3/c1-3-6-16-7-4-12(5-8-16)10-17-11-13(9-14(17)18)15(19)20-2/h12-13H,3-11H2,1-2H3
InChIKeyQLJBZNNCRSLVCY-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.13
Rot. Bonds5

About methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate

methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate (PubChem CID 168693086) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate
PubChem CID168693086
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate
SMILESCCCN1CCC(CN2CC(C(=O)OC)CC2=O)CC1
InChIInChI=1S/C15H26N2O3/c1-3-6-16-7-4-12(5-8-16)10-17-11-13(9-14(17)18)15(19)20-2/h12-13H,3-11H2,1-2H3
InChIKeyQLJBZNNCRSLVCY-UHFFFAOYSA-N
XLogP1.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 168690563
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422
4-(chloromethyl)-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 168507094
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 139513691
methyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate
CID 3023550
methyl 5-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxylate
CID 168694070
4-chloro-1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 168688520
methyl 1-(6-aminohexyl)-5-oxopyrrolidine-3-carboxylate
CID 168694101
2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 78860962
methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate
CID 168693022
cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 52577395

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate (CID 168693086) is methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate is CCCN1CCC(CN2CC(C(=O)OC)CC2=O)CC1.
What is the InChIKey of methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate?
The InChIKey is QLJBZNNCRSLVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-6-16-7-4-12(5-8-16)10-17-11-13(9-14(17)18)15(19)20-2/h12-13H,3-11H2,1-2H3.
What are the key properties of methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate?
methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 168693086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).