3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid

C15H26N2O4 — CID 63147419

IUPAC3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCCOC1CCCN(C(=O)N2CCC(C)(C(=O)O)C2)C1
InChIInChI=1S/C15H26N2O4/c1-3-9-21-12-5-4-7-16(10-12)14(20)17-8-6-15(2,11-17)13(18)19/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyBDJGMZPYVMIXMB-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.79
Rot. Bonds4

About 3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63147419) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63147419
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCCOC1CCCN(C(=O)N2CCC(C)(C(=O)O)C2)C1
InChIInChI=1S/C15H26N2O4/c1-3-9-21-12-5-4-7-16(10-12)14(20)17-8-6-15(2,11-17)13(18)19/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyBDJGMZPYVMIXMB-UHFFFAOYSA-N
XLogP1.79
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 103536063
(4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone
CID 116654904
1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 115535303
1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451446
1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 63135979
1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166354
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65282949
[1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone
CID 80587134
4-methyl-1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63123499
1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 107228308
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
(6-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone
CID 54989812

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid (CID 63147419) is 3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid is CCCOC1CCCN(C(=O)N2CCC(C)(C(=O)O)C2)C1.
What is the InChIKey of 3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is BDJGMZPYVMIXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-9-21-12-5-4-7-16(10-12)14(20)17-8-6-15(2,11-17)13(18)19/h12H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).