(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C16H30N2O3 — CID 107216933

IUPAC(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCCOC1CC(N)(C(=O)N2CCCC(CCO)C2)C1(C)C
InChIInChI=1S/C16H30N2O3/c1-4-21-13-10-16(17,15(13,2)3)14(20)18-8-5-6-12(11-18)7-9-19/h12-13,19H,4-11,17H2,1-3H3
InChIKeyABTQPHDZOGZWHI-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.14
Rot. Bonds5

About (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 107216933) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID107216933
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCCOC1CC(N)(C(=O)N2CCCC(CCO)C2)C1(C)C
InChIInChI=1S/C16H30N2O3/c1-4-21-13-10-16(17,15(13,2)3)14(20)18-8-5-6-12(11-18)7-9-19/h12-13,19H,4-11,17H2,1-3H3
InChIKeyABTQPHDZOGZWHI-UHFFFAOYSA-N
XLogP1.14
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone
CID 114827769
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethylazepan-1-yl)methanone
CID 114829341
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methoxypiperidin-1-yl)methanone
CID 105055857
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 114829251
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 114829252
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-methoxypiperidin-1-yl)methanone
CID 114828072
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 114829508
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-propylpiperazin-1-yl)methanone
CID 114827916
1-(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114829280
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(2-methylazepan-1-yl)methanone
CID 114829330
2-ethoxy-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372171
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone
CID 114829028

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 107216933) is (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is CCOC1CC(N)(C(=O)N2CCCC(CCO)C2)C1(C)C.
What is the InChIKey of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is ABTQPHDZOGZWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-21-13-10-16(17,15(13,2)3)14(20)18-8-5-6-12(11-18)7-9-19/h12-13,19H,4-11,17H2,1-3H3.
What are the key properties of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 298.43 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107216933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).