2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid

C15H27N3O2 — CID 107141587

IUPAC2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(N2CCC(N3CCCCC3)CC2)CNC1
InChIInChI=1S/C15H27N3O2/c19-14(20)10-15(11-16-12-15)18-8-4-13(5-9-18)17-6-2-1-3-7-17/h13,16H,1-12H2,(H,19,20)
InChIKeyBZNHURASJGKLTN-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.75
Rot. Bonds4

About 2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid

2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid (PubChem CID 107141587) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid
PubChem CID107141587
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(N2CCC(N3CCCCC3)CC2)CNC1
InChIInChI=1S/C15H27N3O2/c19-14(20)10-15(11-16-12-15)18-8-4-13(5-9-18)17-6-2-1-3-7-17/h13,16H,1-12H2,(H,19,20)
InChIKeyBZNHURASJGKLTN-UHFFFAOYSA-N
XLogP0.75
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(azepan-1-yl)azetidin-3-yl]acetic acid
CID 107141430
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)azetidin-3-yl]acetic acid
CID 107141922
2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141559
2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141882
2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid
CID 107141865
2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid
CID 107141424
2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid
CID 107141762
2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid
CID 107141899
2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107143244
[1,4'-Bipiperidine]-1'-aceticacid,potassiumsalt(1:1)
CID 70199542
2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid
CID 83682736
2-[1-(azepan-1-yl)-4-methylcyclohexyl]acetic acid
CID 64527329

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid (CID 107141587) is 2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid is O=C(O)CC1(N2CCC(N3CCCCC3)CC2)CNC1.
What is the InChIKey of 2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid?
The InChIKey is BZNHURASJGKLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c19-14(20)10-15(11-16-12-15)18-8-4-13(5-9-18)17-6-2-1-3-7-17/h13,16H,1-12H2,(H,19,20).
What are the key properties of 2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid?
2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid has a molecular weight of 281.40 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).