4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid

C15H28N2O3 — CID 107068233

IUPAC4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid
SMILESCCC(CCNC(=O)C1NCCCC1C)CCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-3-12(6-7-13(18)19)8-10-17-15(20)14-11(2)5-4-9-16-14/h11-12,14,16H,3-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyCUMHZTMUMMNOPQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.77
Rot. Bonds8

About 4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid

4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid (PubChem CID 107068233) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid
PubChem CID107068233
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid
SMILESCCC(CCNC(=O)C1NCCCC1C)CCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-3-12(6-7-13(18)19)8-10-17-15(20)14-11(2)5-4-9-16-14/h11-12,14,16H,3-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyCUMHZTMUMMNOPQ-UHFFFAOYSA-N
XLogP1.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid
CID 104914026
5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 107068216
2-hydroxy-4-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 107835996
6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-4-ethylhexanoic acid
CID 102893159
4-ethyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 114424091
(2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid
CID 107067933
N-[(2S)-2-hydroxypropyl]-3-methylpiperidine-2-carboxamide
CID 107221242
N-[3-(dimethylamino)propyl]-3-methylpiperidine-2-carboxamide
CID 62338925
N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide
CID 64599745
6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid
CID 114457173
N-(2-amino-2-oxoethyl)-3-methylpiperidine-2-carboxamide
CID 62338928
N-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxamide
CID 62338768

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid (CID 107068233) is 4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid is CCC(CCNC(=O)C1NCCCC1C)CCC(=O)O.
What is the InChIKey of 4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid?
The InChIKey is CUMHZTMUMMNOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-12(6-7-13(18)19)8-10-17-15(20)14-11(2)5-4-9-16-14/h11-12,14,16H,3-10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid?
4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 107068233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).