2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid

C15H26N2O3 — CID 79608844

IUPAC2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)N2CCCCCCC2)CC1
InChIInChI=1S/C15H26N2O3/c18-14(19)12-13-6-10-17(11-7-13)15(20)16-8-4-2-1-3-5-9-16/h13H,1-12H2,(H,18,19)
InChIKeyZBOAPVNAIQSTEV-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.56
Rot. Bonds2

About 2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid

2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 79608844) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
PubChem CID79608844
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)N2CCCCCCC2)CC1
InChIInChI=1S/C15H26N2O3/c18-14(19)12-13-6-10-17(11-7-13)15(20)16-8-4-2-1-3-5-9-16/h13H,1-12H2,(H,18,19)
InChIKeyZBOAPVNAIQSTEV-UHFFFAOYSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731
2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 79605697
2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 102963039
2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid
CID 79605864
2-(1-prop-2-ynoylpiperidin-4-yl)acetic acid
CID 79615662
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 83045912
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid
CID 103500361
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79608262
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid
CID 81464306

Frequently Asked Questions

What is the IUPAC name of 2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid (CID 79608844) is 2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)N2CCCCCCC2)CC1.
What is the InChIKey of 2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is ZBOAPVNAIQSTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(19)12-13-6-10-17(11-7-13)15(20)16-8-4-2-1-3-5-9-16/h13H,1-12H2,(H,18,19).
What are the key properties of 2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79608844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).