(3-ethoxycyclobutyl)-(2-propylpiperazin-1-yl)methanone

C14H26N2O2 — CID 154740256

IUPAC(3-ethoxycyclobutyl)-(2-propylpiperazin-1-yl)methanone
SMILESCCCC1CNCCN1C(=O)C1CC(OCC)C1
InChIInChI=1S/C14H26N2O2/c1-3-5-12-10-15-6-7-16(12)14(17)11-8-13(9-11)18-4-2/h11-13,15H,3-10H2,1-2H3
InChIKeyXFDNFQYANFEXBD-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds5

About (3-ethoxycyclobutyl)-(2-propylpiperazin-1-yl)methanone

(3-ethoxycyclobutyl)-(2-propylpiperazin-1-yl)methanone (PubChem CID 154740256) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3-ethoxycyclobutyl)-(2-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-ethoxycyclobutyl)-(2-propylpiperazin-1-yl)methanone
PubChem CID154740256
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(3-ethoxycyclobutyl)-(2-propylpiperazin-1-yl)methanone
SMILESCCCC1CNCCN1C(=O)C1CC(OCC)C1
InChIInChI=1S/C14H26N2O2/c1-3-5-12-10-15-6-7-16(12)14(17)11-8-13(9-11)18-4-2/h11-13,15H,3-10H2,1-2H3
InChIKeyXFDNFQYANFEXBD-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride
CID 45073237
[2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone
CID 114824171
2-ethylpiperazine-1-carbonyl chloride
CID 151342622
1-ethoxy-2-propylpiperazine
CID 174859898
3-bicyclo[3.1.0]hexanyl-(2-propylpiperidin-1-yl)methanone
CID 83056790
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
butyl 2-(2-methoxyethyl)piperazine-1-carboxylate
CID 67677495
ethyl 2-methylpiperazine-1-carboxylate;hydrochloride
CID 118918526
2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid
CID 22629585
[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-ethoxycyclobutyl)methanone
CID 167906369
4-ethoxy-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
CID 82705112
tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 12046236

Frequently Asked Questions

What is the IUPAC name of (3-ethoxycyclobutyl)-(2-propylpiperazin-1-yl)methanone?
The IUPAC name of (3-ethoxycyclobutyl)-(2-propylpiperazin-1-yl)methanone (CID 154740256) is (3-ethoxycyclobutyl)-(2-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-ethoxycyclobutyl)-(2-propylpiperazin-1-yl)methanone?
The canonical SMILES for (3-ethoxycyclobutyl)-(2-propylpiperazin-1-yl)methanone is CCCC1CNCCN1C(=O)C1CC(OCC)C1.
What is the InChIKey of (3-ethoxycyclobutyl)-(2-propylpiperazin-1-yl)methanone?
The InChIKey is XFDNFQYANFEXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-5-12-10-15-6-7-16(12)14(17)11-8-13(9-11)18-4-2/h11-13,15H,3-10H2,1-2H3.
What are the key properties of (3-ethoxycyclobutyl)-(2-propylpiperazin-1-yl)methanone?
(3-ethoxycyclobutyl)-(2-propylpiperazin-1-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxycyclobutyl)-(2-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 154740256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).