1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid

C15H26N2O3 — CID 43441474

IUPAC1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC(=O)N2CCCCCCC2)CC1
InChIInChI=1S/C15H26N2O3/c18-14(17-8-4-2-1-3-5-9-17)12-16-10-6-13(7-11-16)15(19)20/h13H,1-12H2,(H,19,20)
InChIKeyISFSTKGYSOHOPK-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.58
Rot. Bonds3

About 1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid

1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 43441474) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID43441474
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC(=O)N2CCCCCCC2)CC1
InChIInChI=1S/C15H26N2O3/c18-14(17-8-4-2-1-3-5-9-17)12-16-10-6-13(7-11-16)15(19)20/h13H,1-12H2,(H,19,20)
InChIKeyISFSTKGYSOHOPK-UHFFFAOYSA-N
XLogP1.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
(3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81125475
1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid
CID 63972132
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119909444
1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62917489
1-(azepan-1-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 78962281
oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 171669466
(3S)-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylic acid
CID 81125395
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79608262
1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 63032240

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid (CID 43441474) is 1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(CC(=O)N2CCCCCCC2)CC1.
What is the InChIKey of 1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is ISFSTKGYSOHOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(17-8-4-2-1-3-5-9-17)12-16-10-6-13(7-11-16)15(19)20/h13H,1-12H2,(H,19,20).
What are the key properties of 1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid?
1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43441474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).