[1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone

C13H25N3O — CID 114086567

IUPAC[1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CC(CN)(C(=O)N2CCN(C)CC2C)C1
InChIInChI=1S/C13H25N3O/c1-10-6-13(7-10,9-14)12(17)16-5-4-15(3)8-11(16)2/h10-11H,4-9,14H2,1-3H3
InChIKeyJPZKOTCWODNYCX-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.52
Rot. Bonds2

About [1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone

[1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone (PubChem CID 114086567) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone
PubChem CID114086567
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name[1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CC(CN)(C(=O)N2CCN(C)CC2C)C1
InChIInChI=1S/C13H25N3O/c1-10-6-13(7-10,9-14)12(17)16-5-4-15(3)8-11(16)2/h10-11H,4-9,14H2,1-3H3
InChIKeyJPZKOTCWODNYCX-UHFFFAOYSA-N
XLogP0.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane
CID 177202749
1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide
CID 80599155
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 80588732
1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide
CID 83013697
1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide
CID 80588230
(2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone
CID 177202718
[1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone
CID 80587278
[1-(aminomethyl)-3-methylcyclobutyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 80598306
[1-(aminomethyl)-3-methylcyclobutyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 80587562
1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80598397
2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
CID 146446814
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 80587778

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone (CID 114086567) is [1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone is CC1CC(CN)(C(=O)N2CCN(C)CC2C)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is JPZKOTCWODNYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-6-13(7-10,9-14)12(17)16-5-4-15(3)8-11(16)2/h10-11H,4-9,14H2,1-3H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone?
[1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 114086567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).