2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone

C15H29N3O — CID 66216113

IUPAC2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCCCN(CC(=O)N1CC(C)CC(C)C1)C1CNC1
InChIInChI=1S/C15H29N3O/c1-4-5-17(14-7-16-8-14)11-15(19)18-9-12(2)6-13(3)10-18/h12-14,16H,4-11H2,1-3H3
InChIKeyKNQGYDDTBLRNEG-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.17
Rot. Bonds5

About 2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone

2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 66216113) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID66216113
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCCCN(CC(=O)N1CC(C)CC(C)C1)C1CNC1
InChIInChI=1S/C15H29N3O/c1-4-5-17(14-7-16-8-14)11-15(19)18-9-12(2)6-13(3)10-18/h12-14,16H,4-11H2,1-3H3
InChIKeyKNQGYDDTBLRNEG-UHFFFAOYSA-N
XLogP1.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 60806824
1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone
CID 66216521
1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
CID 55203821
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 62015648
2-[azetidin-3-yl(propyl)amino]-N,N-dimethylacetamide
CID 62784248
2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 54945218
N-methyl-2-[(5-methylpiperidin-3-yl)-propylamino]acetamide
CID 115373436
2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 66214520
N-(2-methylprop-2-enyl)-N-propylazetidin-3-amine
CID 66215524
2-[azetidin-3-yl(propyl)amino]-N-cyclopropylacetamide
CID 66216105
1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one
CID 62029166
N-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine
CID 66214310

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone (CID 66216113) is 2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone is CCCN(CC(=O)N1CC(C)CC(C)C1)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is KNQGYDDTBLRNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-5-17(14-7-16-8-14)11-15(19)18-9-12(2)6-13(3)10-18/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 66216113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).