6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid

C16H30N2O3 — CID 65290004

IUPAC6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCCC1CCN(C(=O)NCCC(C)(C)CCC(=O)O)CC1
InChIInChI=1S/C16H30N2O3/c1-4-13-6-11-18(12-7-13)15(21)17-10-9-16(2,3)8-5-14(19)20/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyHYHUGJLHTAWJGY-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.10
Rot. Bonds7

About 6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid

6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 65290004) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
PubChem CID65290004
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCCC1CCN(C(=O)NCCC(C)(C)CCC(=O)O)CC1
InChIInChI=1S/C16H30N2O3/c1-4-13-6-11-18(12-7-13)15(21)17-10-9-16(2,3)8-5-14(19)20/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyHYHUGJLHTAWJGY-UHFFFAOYSA-N
XLogP3.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65289949
6-[(4-ethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 61421416
7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 61421852
6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 102962215
6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 79180887
6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65289367
4,4-dimethyl-6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 65287791
3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62211698
4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid
CID 62206502
2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141
3-[[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 122018174
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid (CID 65290004) is 6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid is CCC1CCN(C(=O)NCCC(C)(C)CCC(=O)O)CC1.
What is the InChIKey of 6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is HYHUGJLHTAWJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-13-6-11-18(12-7-13)15(21)17-10-9-16(2,3)8-5-14(19)20/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65290004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).