[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone

C17H26N2O4 — CID 56803154

IUPAC[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
SMILESCCOCC(O)CN1CCN(C(=O)C2CC2c2ccco2)CC1
InChIInChI=1S/C17H26N2O4/c1-2-22-12-13(20)11-18-5-7-19(8-6-18)17(21)15-10-14(15)16-4-3-9-23-16/h3-4,9,13-15,20H,2,5-8,10-12H2,1H3
InChIKeyIOZDNWHMYFULSW-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.92
Rot. Bonds7

About [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone

[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone (PubChem CID 56803154) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
PubChem CID56803154
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
SMILESCCOCC(O)CN1CCN(C(=O)C2CC2c2ccco2)CC1
InChIInChI=1S/C17H26N2O4/c1-2-22-12-13(20)11-18-5-7-19(8-6-18)17(21)15-10-14(15)16-4-3-9-23-16/h3-4,9,13-15,20H,2,5-8,10-12H2,1H3
InChIKeyIOZDNWHMYFULSW-UHFFFAOYSA-N
XLogP0.92
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone with MolForge

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Related Compounds

[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]methanone
CID 95613710
ethyl 4-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 97029153
[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 95347650
aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95613800
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 95588197
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 95588252
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone
CID 95588558
[4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
CID 56821879
1-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 95322523
[2-(furan-2-yl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 56820493
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 95613674

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
The IUPAC name of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone (CID 56803154) is [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone.
What is the SMILES notation for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
The canonical SMILES for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone is CCOCC(O)CN1CCN(C(=O)C2CC2c2ccco2)CC1.
What is the InChIKey of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
The InChIKey is IOZDNWHMYFULSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-2-22-12-13(20)11-18-5-7-19(8-6-18)17(21)15-10-14(15)16-4-3-9-23-16/h3-4,9,13-15,20H,2,5-8,10-12H2,1H3.
What are the key properties of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone has a molecular weight of 322.41 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone is sourced from PubChem (CID 56803154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).