(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone

C16H31N3O2 — CID 114829252

IUPAC(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCOC1CC(N)(C(=O)N2CCN(CC)C(C)C2)C1(C)C
InChIInChI=1S/C16H31N3O2/c1-6-18-8-9-19(11-12(18)3)14(20)16(17)10-13(21-7-2)15(16,4)5/h12-13H,6-11,17H2,1-5H3
InChIKeyLNNNINCBBBIYSO-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.07
Rot. Bonds4

About (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone

(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone (PubChem CID 114829252) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
PubChem CID114829252
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCOC1CC(N)(C(=O)N2CCN(CC)C(C)C2)C1(C)C
InChIInChI=1S/C16H31N3O2/c1-6-18-8-9-19(11-12(18)3)14(20)16(17)10-13(21-7-2)15(16,4)5/h12-13H,6-11,17H2,1-5H3
InChIKeyLNNNINCBBBIYSO-UHFFFAOYSA-N
XLogP1.07
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The IUPAC name of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone (CID 114829252) is (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone is CCOC1CC(N)(C(=O)N2CCN(CC)C(C)C2)C1(C)C.
What is the InChIKey of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The InChIKey is LNNNINCBBBIYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-6-18-8-9-19(11-12(18)3)14(20)16(17)10-13(21-7-2)15(16,4)5/h12-13H,6-11,17H2,1-5H3.
What are the key properties of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone has a molecular weight of 297.44 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 114829252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).