3-(4-ethylpiperazin-1-yl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide

C17H33N3O2 — CID 71983877

IUPAC3-(4-ethylpiperazin-1-yl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide
SMILESCCN1CCN(CCC(=O)NC2CC(C)(OC)C2(C)C)CC1
InChIInChI=1S/C17H33N3O2/c1-6-19-9-11-20(12-10-19)8-7-15(21)18-14-13-17(4,22-5)16(14,2)3/h14H,6-13H2,1-5H3,(H,18,21)
InChIKeyGZPYWWDYGRDCBE-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.33
Rot. Bonds6

About 3-(4-ethylpiperazin-1-yl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide

3-(4-ethylpiperazin-1-yl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide (PubChem CID 71983877) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide
PubChem CID71983877
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name3-(4-ethylpiperazin-1-yl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide
SMILESCCN1CCN(CCC(=O)NC2CC(C)(OC)C2(C)C)CC1
InChIInChI=1S/C17H33N3O2/c1-6-19-9-11-20(12-10-19)8-7-15(21)18-14-13-17(4,22-5)16(14,2)3/h14H,6-13H2,1-5H3,(H,18,21)
InChIKeyGZPYWWDYGRDCBE-UHFFFAOYSA-N
XLogP1.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide (CID 71983877) is 3-(4-ethylpiperazin-1-yl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide is CCN1CCN(CCC(=O)NC2CC(C)(OC)C2(C)C)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide?
The InChIKey is GZPYWWDYGRDCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-6-19-9-11-20(12-10-19)8-7-15(21)18-14-13-17(4,22-5)16(14,2)3/h14H,6-13H2,1-5H3,(H,18,21).
What are the key properties of 3-(4-ethylpiperazin-1-yl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide?
3-(4-ethylpiperazin-1-yl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide has a molecular weight of 311.47 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide is sourced from PubChem (CID 71983877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).