1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone

C13H24N2O — CID 167480115

IUPAC1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(N2CCC(C(C)C)CC2)C1
InChIInChI=1S/C13H24N2O/c1-10(2)12-4-6-14(7-5-12)13-8-15(9-13)11(3)16/h10,12-13H,4-9H2,1-3H3
InChIKeyOGJTYZRHVQPCPN-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.59
Rot. Bonds2

About 1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone

1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone (PubChem CID 167480115) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone
PubChem CID167480115
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(N2CCC(C(C)C)CC2)C1
InChIInChI=1S/C13H24N2O/c1-10(2)12-4-6-14(7-5-12)13-8-15(9-13)11(3)16/h10,12-13H,4-9H2,1-3H3
InChIKeyOGJTYZRHVQPCPN-UHFFFAOYSA-N
XLogP1.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone (CID 167480115) is 1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone is CC(=O)N1CC(N2CCC(C(C)C)CC2)C1.
What is the InChIKey of 1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone?
The InChIKey is OGJTYZRHVQPCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)12-4-6-14(7-5-12)13-8-15(9-13)11(3)16/h10,12-13H,4-9H2,1-3H3.
What are the key properties of 1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone?
1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone has a molecular weight of 224.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 167480115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).