2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid

C14H26N2O4 — CID 102962543

IUPAC2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)N1CCC(C)C(OC)C1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-5-6-11(13(17)18)15-14(19)16-8-7-10(2)12(9-16)20-3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyBILCQVJSZMTYHC-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds6

About 2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid

2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid (PubChem CID 102962543) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid
PubChem CID102962543
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)N1CCC(C)C(OC)C1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-5-6-11(13(17)18)15-14(19)16-8-7-10(2)12(9-16)20-3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyBILCQVJSZMTYHC-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 102962820
4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 102962656
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 103082201
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]hexanoic acid
CID 64598838
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 107146678
(2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145229
(2R)-2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567836
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 103536440
(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid
CID 107145596
2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 106587981
4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 102962668
(2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 107146710

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid (CID 102962543) is 2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)N1CCC(C)C(OC)C1)C(=O)O.
What is the InChIKey of 2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid?
The InChIKey is BILCQVJSZMTYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-5-6-11(13(17)18)15-14(19)16-8-7-10(2)12(9-16)20-3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid?
2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 102962543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).