1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid

C15H26N2O5 — CID 120534260

IUPAC1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid
SMILESCOC(C)CCC(=O)N(C)CC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H26N2O5/c1-11(22-3)6-7-13(18)16(2)10-14(19)17-8-4-5-12(9-17)15(20)21/h11-12H,4-10H2,1-3H3,(H,20,21)
InChIKeyHYBMPQGRVMEHKH-UHFFFAOYSA-N
MW314.38 g/mol
LogP0.58
Rot. Bonds7

About 1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid

1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid (PubChem CID 120534260) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid
PubChem CID120534260
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid
SMILESCOC(C)CCC(=O)N(C)CC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H26N2O5/c1-11(22-3)6-7-13(18)16(2)10-14(19)17-8-4-5-12(9-17)15(20)21/h11-12H,4-10H2,1-3H3,(H,20,21)
InChIKeyHYBMPQGRVMEHKH-UHFFFAOYSA-N
XLogP0.58
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxypentanoyl)piperidine-3-carbothioamide
CID 113382163
1-[2-[2,4-dimethylpent-4-enoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid
CID 120689284
1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120689288
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
1-[2-[[2-(1,4-dithian-2-yl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120534268
(3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 129470384
methyl 1-[2-[acetyl(methyl)amino]acetyl]piperidine-3-carboxylate
CID 78919197
1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 120534157
1-[2-[[2-(2,4-difluorophenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120534241
(3S)-1-[2-[(3-methoxythiophene-2-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 129466589
1-(4-ethoxy-4-oxobutanoyl)piperidine-3-carboxylic acid
CID 43355863
1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid
CID 120534234

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid (CID 120534260) is 1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid is COC(C)CCC(=O)N(C)CC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid?
The InChIKey is HYBMPQGRVMEHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-11(22-3)6-7-13(18)16(2)10-14(19)17-8-4-5-12(9-17)15(20)21/h11-12H,4-10H2,1-3H3,(H,20,21).
What are the key properties of 1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid?
1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid has a molecular weight of 314.38 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 120534260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).