1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid

C15H26N2O3 — CID 63140743

IUPAC1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(CC(=O)N(C)C2CC2)C1
InChIInChI=1S/C15H26N2O3/c1-3-7-15(14(19)20)8-4-9-17(11-15)10-13(18)16(2)12-5-6-12/h12H,3-11H2,1-2H3,(H,19,20)
InChIKeyRNGSLXGDDOKYHQ-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.57
Rot. Bonds6

About 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid

1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid (PubChem CID 63140743) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
PubChem CID63140743
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(CC(=O)N(C)C2CC2)C1
InChIInChI=1S/C15H26N2O3/c1-3-7-15(14(19)20)8-4-9-17(11-15)10-13(18)16(2)12-5-6-12/h12H,3-11H2,1-2H3,(H,19,20)
InChIKeyRNGSLXGDDOKYHQ-UHFFFAOYSA-N
XLogP1.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140475
1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63135923
1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 63140989
1-[2-(dimethylamino)-2-oxoethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136962
3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 63140519
1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140844
3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324628
1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43578322
1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid
CID 83158038
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140609
(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid
CID 97144655
N-cyclohexyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylacetamide
CID 113249858

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid (CID 63140743) is 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(CC(=O)N(C)C2CC2)C1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid?
The InChIKey is RNGSLXGDDOKYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-7-15(14(19)20)8-4-9-17(11-15)10-13(18)16(2)12-5-6-12/h12H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid?
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63140743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).