7-[(4-ethylpiperidine-2-carbonyl)amino]heptanoic acid

C15H28N2O3 — CID 114428646

IUPAC7-[(4-ethylpiperidine-2-carbonyl)amino]heptanoic acid
SMILESCCC1CCNC(C(=O)NCCCCCCC(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-2-12-8-10-16-13(11-12)15(20)17-9-6-4-3-5-7-14(18)19/h12-13,16H,2-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyJIMLPFSXGKKYQI-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.92
Rot. Bonds9

About 7-[(4-ethylpiperidine-2-carbonyl)amino]heptanoic acid

7-[(4-ethylpiperidine-2-carbonyl)amino]heptanoic acid (PubChem CID 114428646) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 7-[(4-ethylpiperidine-2-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(4-ethylpiperidine-2-carbonyl)amino]heptanoic acid
PubChem CID114428646
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name7-[(4-ethylpiperidine-2-carbonyl)amino]heptanoic acid
SMILESCCC1CCNC(C(=O)NCCCCCCC(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-2-12-8-10-16-13(11-12)15(20)17-9-6-4-3-5-7-14(18)19/h12-13,16H,2-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyJIMLPFSXGKKYQI-UHFFFAOYSA-N
XLogP1.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.92
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

4-ethyl-N-(4-hydroxybutyl)piperidine-2-carboxamide
CID 106841954
4-ethyl-N-(3-hydroxypropyl)piperidine-2-carboxamide
CID 114428024
N-[3-(cyclopropylmethoxy)propyl]-4-ethylpiperidine-2-carboxamide
CID 114428069
N-(2-cyclopentyloxyethyl)-4-ethylpiperidine-2-carboxamide
CID 114429058
3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 114429130
4-ethyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
CID 114428071
4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid
CID 114428891
4-ethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-2-carboxamide
CID 114428936
N-(cyclohexylmethyl)-4-ethylpiperidine-2-carboxamide
CID 114428046
4-ethyl-N-[2-(ethylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 114428095
4-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 114427828
4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114428012

Frequently Asked Questions

What is the IUPAC name of 7-[(4-ethylpiperidine-2-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(4-ethylpiperidine-2-carbonyl)amino]heptanoic acid (CID 114428646) is 7-[(4-ethylpiperidine-2-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(4-ethylpiperidine-2-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(4-ethylpiperidine-2-carbonyl)amino]heptanoic acid is CCC1CCNC(C(=O)NCCCCCCC(=O)O)C1.
What is the InChIKey of 7-[(4-ethylpiperidine-2-carbonyl)amino]heptanoic acid?
The InChIKey is JIMLPFSXGKKYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-12-8-10-16-13(11-12)15(20)17-9-6-4-3-5-7-14(18)19/h12-13,16H,2-11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 7-[(4-ethylpiperidine-2-carbonyl)amino]heptanoic acid?
7-[(4-ethylpiperidine-2-carbonyl)amino]heptanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.92, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-ethylpiperidine-2-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 114428646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).