1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid

C13H23N3O3 — CID 63124373

IUPAC1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N2CCCC(N)C2)CC1
InChIInChI=1S/C13H23N3O3/c1-13(11(17)18)4-7-15(8-5-13)12(19)16-6-2-3-10(14)9-16/h10H,2-9,14H2,1H3,(H,17,18)
InChIKeyPDNIUUMDEDHAHF-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.72
Rot. Bonds1

About 1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid

1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124373) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63124373
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N2CCCC(N)C2)CC1
InChIInChI=1S/C13H23N3O3/c1-13(11(17)18)4-7-15(8-5-13)12(19)16-6-2-3-10(14)9-16/h10H,2-9,14H2,1H3,(H,17,18)
InChIKeyPDNIUUMDEDHAHF-UHFFFAOYSA-N
XLogP0.72
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55176605
4-methyl-1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63123499
(3-aminopiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 79161440
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179
(3-aminopiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 131532864
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123868
(3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone
CID 103840779
[(3R)-3-aminopiperidin-1-yl]-piperazin-1-ylmethanone
CID 124908113
1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 63135979
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65282949
4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 55177373
1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 115535303

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid (CID 63124373) is 1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)N2CCCC(N)C2)CC1.
What is the InChIKey of 1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is PDNIUUMDEDHAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(11(17)18)4-7-15(8-5-13)12(19)16-6-2-3-10(14)9-16/h10H,2-9,14H2,1H3,(H,17,18).
What are the key properties of 1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid?
1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).