2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone

C13H24N2O — CID 177010544

IUPAC2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone
SMILESCC(C)C1CN(C(=O)CN2CCCCC2)C1
InChIInChI=1S/C13H24N2O/c1-11(2)12-8-15(9-12)13(16)10-14-6-4-3-5-7-14/h11-12H,3-10H2,1-2H3
InChIKeyGUYUUPGJBIBZIR-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.59
Rot. Bonds3

About 2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone

2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone (PubChem CID 177010544) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone
PubChem CID177010544
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone
SMILESCC(C)C1CN(C(=O)CN2CCCCC2)C1
InChIInChI=1S/C13H24N2O/c1-11(2)12-8-15(9-12)13(16)10-14-6-4-3-5-7-14/h11-12H,3-10H2,1-2H3
InChIKeyGUYUUPGJBIBZIR-UHFFFAOYSA-N
XLogP1.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 167479955
1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(azocan-1-yl)ethanone
CID 122557295
2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 63595543
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 112630179
2-(azepan-1-yl)-1-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]ethanone
CID 131947868
oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 171669466
3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
CID 174181009
2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94823036
2-(azepan-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074710
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 78892011

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone?
The IUPAC name of 2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone (CID 177010544) is 2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone.
What is the SMILES notation for 2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone?
The canonical SMILES for 2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone is CC(C)C1CN(C(=O)CN2CCCCC2)C1.
What is the InChIKey of 2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone?
The InChIKey is GUYUUPGJBIBZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)12-8-15(9-12)13(16)10-14-6-4-3-5-7-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone?
2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone has a molecular weight of 224.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone is sourced from PubChem (CID 177010544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).