[1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone

C14H27N3O — CID 80587778

IUPAC[1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCC1CC(CN)(C(=O)N2CCC(N(C)C)CC2)C1
InChIInChI=1S/C14H27N3O/c1-11-8-14(9-11,10-15)13(18)17-6-4-12(5-7-17)16(2)3/h11-12H,4-10,15H2,1-3H3
InChIKeyVSZRRLFJZDZWNF-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.91
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone

[1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 80587778) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID80587778
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCC1CC(CN)(C(=O)N2CCC(N(C)C)CC2)C1
InChIInChI=1S/C14H27N3O/c1-11-8-14(9-11,10-15)13(18)17-6-4-12(5-7-17)16(2)3/h11-12H,4-10,15H2,1-3H3
InChIKeyVSZRRLFJZDZWNF-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 80588732
[1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone
CID 80587278
[1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone
CID 80588739
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 80598312
[1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81465283
[1-(aminomethyl)-3-methylcyclobutyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 80598306
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 113310414
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 80588160
[1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355744
[1-(aminomethyl)-3-methylcyclobutyl]-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81197523
[1-(aminomethyl)-3-methylcyclobutyl]-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 80599475
[1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119874483

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone (CID 80587778) is [1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone is CC1CC(CN)(C(=O)N2CCC(N(C)C)CC2)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is VSZRRLFJZDZWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11-8-14(9-11,10-15)13(18)17-6-4-12(5-7-17)16(2)3/h11-12H,4-10,15H2,1-3H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 253.39 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 80587778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).