4-(azetidin-3-yloxy)-2-benzylpiperidine-1-carboxylic acid

C16H22N2O3 — CID 146458540

IUPAC4-(azetidin-3-yloxy)-2-benzylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(OC2CNC2)CC1Cc1ccccc1
InChIInChI=1S/C16H22N2O3/c19-16(20)18-7-6-14(21-15-10-17-11-15)9-13(18)8-12-4-2-1-3-5-12/h1-5,13-15,17H,6-11H2,(H,19,20)
InChIKeyWJABLIUUIBKIIY-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.73
Rot. Bonds4

About 4-(azetidin-3-yloxy)-2-benzylpiperidine-1-carboxylic acid

4-(azetidin-3-yloxy)-2-benzylpiperidine-1-carboxylic acid (PubChem CID 146458540) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-2-benzylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-2-benzylpiperidine-1-carboxylic acid
PubChem CID146458540
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(azetidin-3-yloxy)-2-benzylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(OC2CNC2)CC1Cc1ccccc1
InChIInChI=1S/C16H22N2O3/c19-16(20)18-7-6-14(21-15-10-17-11-15)9-13(18)8-12-4-2-1-3-5-12/h1-5,13-15,17H,6-11H2,(H,19,20)
InChIKeyWJABLIUUIBKIIY-UHFFFAOYSA-N
XLogP1.73
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4-methylpiperidine-1-carboxylic acid
CID 175595990
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
2-benzyl-4-(1-ethoxy-1,4-dioxobutan-2-yl)piperidine-1-carboxylic acid
CID 87594094
(2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate
CID 91604523
ethyl 2-benzylpiperazine-1-carboxylate
CID 70103496
2-benzyl-4-(3-oxomorpholin-4-yl)piperidine-1-carboxylic acid;4-piperidin-4-ylmorpholin-3-one
CID 69466367
[(3S)-5-benzylpiperidin-3-yl] carbamate
CID 69406960
2-benzyl-5-fluoropiperidine-1-carboxylic acid
CID 175168412
2-benzyl-5-methylpiperidine-1-carboxylic acid
CID 175023427
(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 60940057
1-[(2R)-2-benzylazetidin-1-yl]-4-(2-phenylethoxy)butan-1-one
CID 95787920
4-benzyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 70895994

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxy)-2-benzylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(azetidin-3-yloxy)-2-benzylpiperidine-1-carboxylic acid (CID 146458540) is 4-(azetidin-3-yloxy)-2-benzylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(azetidin-3-yloxy)-2-benzylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(azetidin-3-yloxy)-2-benzylpiperidine-1-carboxylic acid is O=C(O)N1CCC(OC2CNC2)CC1Cc1ccccc1.
What is the InChIKey of 4-(azetidin-3-yloxy)-2-benzylpiperidine-1-carboxylic acid?
The InChIKey is WJABLIUUIBKIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-16(20)18-7-6-14(21-15-10-17-11-15)9-13(18)8-12-4-2-1-3-5-12/h1-5,13-15,17H,6-11H2,(H,19,20).
What are the key properties of 4-(azetidin-3-yloxy)-2-benzylpiperidine-1-carboxylic acid?
4-(azetidin-3-yloxy)-2-benzylpiperidine-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)-2-benzylpiperidine-1-carboxylic acid is sourced from PubChem (CID 146458540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).