1-[3-(methylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one

C15H26N4O2 — CID 122582733

IUPAC1-[3-(methylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one
SMILESCNC1CN(C(=O)CCc2nccn2CCOC(C)C)C1
InChIInChI=1S/C15H26N4O2/c1-12(2)21-9-8-18-7-6-17-14(18)4-5-15(20)19-10-13(11-19)16-3/h6-7,12-13,16H,4-5,8-11H2,1-3H3
InChIKeyBQKHPXUAGUZRGB-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.67
Rot. Bonds8

About 1-[3-(methylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one

1-[3-(methylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one (PubChem CID 122582733) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[3-(methylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(methylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one
PubChem CID122582733
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[3-(methylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one
SMILESCNC1CN(C(=O)CCc2nccn2CCOC(C)C)C1
InChIInChI=1S/C15H26N4O2/c1-12(2)21-9-8-18-7-6-17-14(18)4-5-15(20)19-10-13(11-19)16-3/h6-7,12-13,16H,4-5,8-11H2,1-3H3
InChIKeyBQKHPXUAGUZRGB-UHFFFAOYSA-N
XLogP0.67
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(methylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one with MolForge

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Related Compounds

1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one
CID 134220611
3-[1-(2-chloroethyl)imidazol-2-yl]-1-[3-(methylamino)azetidin-1-yl]propan-1-one
CID 122582739
1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one
CID 134220583
cyclopropylmethyl 3-[2-[3-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoate;methane
CID 159389215
2-ethyl-1-(2-propan-2-yloxyethyl)imidazole
CID 63810193
1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one
CID 122582722
3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one
CID 122448182
3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid
CID 121452441
2-butyl-1-(3-propan-2-yloxypropyl)imidazole
CID 57089790
3-[2-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid;hydrochloride
CID 121452438
3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 139544025
3-[1-[2-(aminodiazenyl)ethyl]imidazol-2-yl]-1-[4-(aminodiazenyl)piperidin-1-yl]propan-1-one
CID 122448187

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one?
The IUPAC name of 1-[3-(methylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one (CID 122582733) is 1-[3-(methylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-(methylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one?
The canonical SMILES for 1-[3-(methylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one is CNC1CN(C(=O)CCc2nccn2CCOC(C)C)C1.
What is the InChIKey of 1-[3-(methylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one?
The InChIKey is BQKHPXUAGUZRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12(2)21-9-8-18-7-6-17-14(18)4-5-15(20)19-10-13(11-19)16-3/h6-7,12-13,16H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[3-(methylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one?
1-[3-(methylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one has a molecular weight of 294.40 g/mol, XLogP of 0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one is sourced from PubChem (CID 122582733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).