7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid

C14H26N2O3 — CID 63131790

IUPAC7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid
SMILESCC1(C(=O)NCCCCCCC(=O)O)CCCNC1
InChIInChI=1S/C14H26N2O3/c1-14(8-6-9-15-11-14)13(19)16-10-5-3-2-4-7-12(17)18/h15H,2-11H2,1H3,(H,16,19)(H,17,18)
InChIKeyDRJUFPZTMWGTHL-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.53
Rot. Bonds8

About 7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid

7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid (PubChem CID 63131790) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid
PubChem CID63131790
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid
SMILESCC1(C(=O)NCCCCCCC(=O)O)CCCNC1
InChIInChI=1S/C14H26N2O3/c1-14(8-6-9-15-11-14)13(19)16-10-5-3-2-4-7-12(17)18/h15H,2-11H2,1H3,(H,16,19)(H,17,18)
InChIKeyDRJUFPZTMWGTHL-UHFFFAOYSA-N
XLogP1.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-3-methylpiperidine-3-carboxamide
CID 63130071
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162
N-(3-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 63130047
N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide
CID 63133316
6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 104596546
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405
2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 114006844
3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55164315
3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide
CID 63133086
3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131076
3-methyl-N-pent-3-ynylpiperidine-3-carboxamide
CID 116644144
2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 66177466

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid (CID 63131790) is 7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid is CC1(C(=O)NCCCCCCC(=O)O)CCCNC1.
What is the InChIKey of 7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid?
The InChIKey is DRJUFPZTMWGTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(8-6-9-15-11-14)13(19)16-10-5-3-2-4-7-12(17)18/h15H,2-11H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid?
7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 63131790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).