1-(3-ethylheptanoyl)piperidine-4-carboxylic acid

C15H27NO3 — CID 119166750

IUPAC1-(3-ethylheptanoyl)piperidine-4-carboxylic acid
SMILESCCCCC(CC)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H27NO3/c1-3-5-6-12(4-2)11-14(17)16-9-7-13(8-10-16)15(18)19/h12-13H,3-11H2,1-2H3,(H,18,19)
InChIKeyBQYMHEKTHHWOIL-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.92
Rot. Bonds7

About 1-(3-ethylheptanoyl)piperidine-4-carboxylic acid

1-(3-ethylheptanoyl)piperidine-4-carboxylic acid (PubChem CID 119166750) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(3-ethylheptanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethylheptanoyl)piperidine-4-carboxylic acid
PubChem CID119166750
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(3-ethylheptanoyl)piperidine-4-carboxylic acid
SMILESCCCCC(CC)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H27NO3/c1-3-5-6-12(4-2)11-14(17)16-9-7-13(8-10-16)15(18)19/h12-13H,3-11H2,1-2H3,(H,18,19)
InChIKeyBQYMHEKTHHWOIL-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylhexylcarbamoyl)piperidine-4-carboxylic acid
CID 107817441
4-(3-ethylheptanoyl)morpholine-2-carboxylic acid
CID 119239968
1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103259024
1-(2-butylsulfanylacetyl)piperidine-4-carboxylic acid
CID 43092584
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-ethylheptan-1-one;hydrochloride
CID 120656345
1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid
CID 62837825
1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one
CID 119467507
1-(2-ethylhexylcarbamoyl)piperidine-3-carboxylic acid
CID 107817343
1-(heptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 61465992
1-(2-ethylhexyl)-6-oxopiperidine-3-carboxylic acid
CID 62216405
1-(2-methylpentanoyl)piperidine-4-carboxylic acid
CID 43209769
1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid
CID 53211434

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylheptanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-ethylheptanoyl)piperidine-4-carboxylic acid (CID 119166750) is 1-(3-ethylheptanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-ethylheptanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-ethylheptanoyl)piperidine-4-carboxylic acid is CCCCC(CC)CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(3-ethylheptanoyl)piperidine-4-carboxylic acid?
The InChIKey is BQYMHEKTHHWOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-5-6-12(4-2)11-14(17)16-9-7-13(8-10-16)15(18)19/h12-13H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-ethylheptanoyl)piperidine-4-carboxylic acid?
1-(3-ethylheptanoyl)piperidine-4-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylheptanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119166750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).