2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C15H29N3O — CID 167479955

IUPAC2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)C1CN(CC(=O)N2CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H29N3O/c1-12(2)14-9-16(10-14)11-15(19)18-7-5-17(6-8-18)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyCDEQTPQBVCJLCC-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.13
Rot. Bonds4

About 2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 167479955) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID167479955
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)C1CN(CC(=O)N2CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H29N3O/c1-12(2)14-9-16(10-14)11-15(19)18-7-5-17(6-8-18)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyCDEQTPQBVCJLCC-UHFFFAOYSA-N
XLogP1.13
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836
2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone
CID 177010544
2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 170371299
4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079
1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 176984404
ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 145315809
2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid
CID 116684337
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 2756459
2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 59553868
3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 167480006
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 103976457
3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one
CID 178000232

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 167479955) is 2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)C1CN(CC(=O)N2CCN(C(C)C)CC2)C1.
What is the InChIKey of 2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is CDEQTPQBVCJLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)14-9-16(10-14)11-15(19)18-7-5-17(6-8-18)13(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 167479955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).