3-methyl-5-[methyl-(1-propylpiperidin-4-yl)amino]-5-oxopentanoic acid

C15H28N2O3 — CID 62963885

IUPAC3-methyl-5-[methyl-(1-propylpiperidin-4-yl)amino]-5-oxopentanoic acid
SMILESCCCN1CCC(N(C)C(=O)CC(C)CC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-4-7-17-8-5-13(6-9-17)16(3)14(18)10-12(2)11-15(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyHSIRUFLLLURYSG-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.82
Rot. Bonds7

About 3-methyl-5-[methyl-(1-propylpiperidin-4-yl)amino]-5-oxopentanoic acid

3-methyl-5-[methyl-(1-propylpiperidin-4-yl)amino]-5-oxopentanoic acid (PubChem CID 62963885) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-methyl-5-[methyl-(1-propylpiperidin-4-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-[methyl-(1-propylpiperidin-4-yl)amino]-5-oxopentanoic acid
PubChem CID62963885
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-methyl-5-[methyl-(1-propylpiperidin-4-yl)amino]-5-oxopentanoic acid
SMILESCCCN1CCC(N(C)C(=O)CC(C)CC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-4-7-17-8-5-13(6-9-17)16(3)14(18)10-12(2)11-15(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyHSIRUFLLLURYSG-UHFFFAOYSA-N
XLogP1.82
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-(1-propylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62230268
N-methyl-3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 119859562
5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide
CID 54916159
N,2,2-trimethyl-N-(1-propylpiperidin-4-yl)propanamide
CID 64590731
N,2-dimethyl-3-(methylamino)-N-(1-propylpiperidin-4-yl)propanamide
CID 79201989
(2R)-2-amino-N,4-dimethyl-N-(1-propylpiperidin-4-yl)pentanamide
CID 93469457
3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 81069420
4-[(1-ethylpiperidin-4-yl)-methylamino]-4-oxobutanoic acid
CID 43578327
3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid
CID 65062044
tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
CID 63714385
2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide
CID 62837819
2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]-4-oxobutanoic acid
CID 115165054

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[methyl-(1-propylpiperidin-4-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-[methyl-(1-propylpiperidin-4-yl)amino]-5-oxopentanoic acid (CID 62963885) is 3-methyl-5-[methyl-(1-propylpiperidin-4-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-[methyl-(1-propylpiperidin-4-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-[methyl-(1-propylpiperidin-4-yl)amino]-5-oxopentanoic acid is CCCN1CCC(N(C)C(=O)CC(C)CC(=O)O)CC1.
What is the InChIKey of 3-methyl-5-[methyl-(1-propylpiperidin-4-yl)amino]-5-oxopentanoic acid?
The InChIKey is HSIRUFLLLURYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-7-17-8-5-13(6-9-17)16(3)14(18)10-12(2)11-15(19)20/h12-13H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 3-methyl-5-[methyl-(1-propylpiperidin-4-yl)amino]-5-oxopentanoic acid?
3-methyl-5-[methyl-(1-propylpiperidin-4-yl)amino]-5-oxopentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[methyl-(1-propylpiperidin-4-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 62963885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).