[1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone

C15H29N3O — CID 80588160

IUPAC[1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)C2(CN)CC(C)C2)CC1
InChIInChI=1S/C15H29N3O/c1-12(2)10-17-4-6-18(7-5-17)14(19)15(11-16)8-13(3)9-15/h12-13H,4-11,16H2,1-3H3
InChIKeySDDUVZISKWNSKJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.16
Rot. Bonds4

About [1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone

[1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 80588160) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID80588160
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name[1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)C2(CN)CC(C)C2)CC1
InChIInChI=1S/C15H29N3O/c1-12(2)10-17-4-6-18(7-5-17)14(19)15(11-16)8-13(3)9-15/h12-13H,4-11,16H2,1-3H3
InChIKeySDDUVZISKWNSKJ-UHFFFAOYSA-N
XLogP1.16
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 80588160) is [1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)C2(CN)CC(C)C2)CC1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is SDDUVZISKWNSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)10-17-4-6-18(7-5-17)14(19)15(11-16)8-13(3)9-15/h12-13H,4-11,16H2,1-3H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 267.42 g/mol, XLogP of 1.16, 4 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-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 80588160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).