6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid

C13H22N2O4 — CID 43447279

IUPAC6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid
SMILESCC1CCCCN1C(=O)NC(=O)CCCCC(=O)O
InChIInChI=1S/C13H22N2O4/c1-10-6-4-5-9-15(10)13(19)14-11(16)7-2-3-8-12(17)18/h10H,2-9H2,1H3,(H,17,18)(H,14,16,19)
InChIKeyPNVWHMGHFLNKQK-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.74
Rot. Bonds5

About 6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid

6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid (PubChem CID 43447279) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid
PubChem CID43447279
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid
SMILESCC1CCCCN1C(=O)NC(=O)CCCCC(=O)O
InChIInChI=1S/C13H22N2O4/c1-10-6-4-5-9-15(10)13(19)14-11(16)7-2-3-8-12(17)18/h10H,2-9H2,1H3,(H,17,18)(H,14,16,19)
InChIKeyPNVWHMGHFLNKQK-UHFFFAOYSA-N
XLogP1.74
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 43117881
6-[(2-ethylazepane-1-carbonyl)amino]-6-oxohexanoic acid
CID 104690464
4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 115534953
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 28746570
4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 62331638
6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid
CID 43447360
(2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 61187712
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 54885988
2-methyl-N-prop-1-en-2-ylpiperidine-1-carboxamide
CID 108910296
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
CID 28972400
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid (CID 43447279) is 6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid is CC1CCCCN1C(=O)NC(=O)CCCCC(=O)O.
What is the InChIKey of 6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid?
The InChIKey is PNVWHMGHFLNKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-10-6-4-5-9-15(10)13(19)14-11(16)7-2-3-8-12(17)18/h10H,2-9H2,1H3,(H,17,18)(H,14,16,19).
What are the key properties of 6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid?
6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid has a molecular weight of 270.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 43447279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).