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

C13H22N2O3 — CID 61181297

IUPAC2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)N1CCCCC1
InChIInChI=1S/C13H22N2O3/c16-12(17)10-11-6-2-5-9-15(11)13(18)14-7-3-1-4-8-14/h11H,1-10H2,(H,16,17)
InChIKeyADWZWEZDBZROOT-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.92
Rot. Bonds2

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

2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 61181297) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
PubChem CID61181297
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)N1CCCCC1
InChIInChI=1S/C13H22N2O3/c16-12(17)10-11-6-2-5-9-15(11)13(18)14-7-3-1-4-8-14/h11H,1-10H2,(H,16,17)
InChIKeyADWZWEZDBZROOT-UHFFFAOYSA-N
XLogP1.92
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61190975
2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370184
2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61403064
2-[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370369
2-[1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61369998
2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid
CID 66063776
2-[1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61370200
2-[1-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370775
2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid
CID 79930590
2-[4-(azepane-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66445684
2-[1-(3-oxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61182335
2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 62777322

Frequently Asked Questions

What is the IUPAC name of 2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid (CID 61181297) is 2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)N1CCCCC1.
What is the InChIKey of 2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is ADWZWEZDBZROOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(17)10-11-6-2-5-9-15(11)13(18)14-7-3-1-4-8-14/h11H,1-10H2,(H,16,17).
What are the key properties of 2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid?
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61181297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).