(3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone

C12H19N5O — CID 103511608

IUPAC(3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
SMILESCn1cncc1C(=O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C12H19N5O/c1-15-9-14-6-11(15)12(18)17-7-10(8-17)16-4-2-13-3-5-16/h6,9-10,13H,2-5,7-8H2,1H3
InChIKeyQKFILZWXLHVFAV-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.85
Rot. Bonds2

About (3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone

(3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone (PubChem CID 103511608) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
PubChem CID103511608
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
SMILESCn1cncc1C(=O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C12H19N5O/c1-15-9-14-6-11(15)12(18)17-7-10(8-17)16-4-2-13-3-5-16/h6,9-10,13H,2-5,7-8H2,1H3
InChIKeyQKFILZWXLHVFAV-UHFFFAOYSA-N
XLogP-0.85
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-diazepan-1-yl-(3-methylimidazol-4-yl)methanone
CID 83883938
(1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66196928
[3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512267
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103511374
[2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone
CID 103511375
4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 103511484
1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 103510374
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
(5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66201861
[4-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]piperazin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 125157063
1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 59625808

Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The IUPAC name of (3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone (CID 103511608) is (3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for (3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The canonical SMILES for (3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone is Cn1cncc1C(=O)N1CC(N2CCNCC2)C1.
What is the InChIKey of (3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The InChIKey is QKFILZWXLHVFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-15-9-14-6-11(15)12(18)17-7-10(8-17)16-4-2-13-3-5-16/h6,9-10,13H,2-5,7-8H2,1H3.
What are the key properties of (3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
(3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone has a molecular weight of 249.32 g/mol, XLogP of -0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 103511608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).