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

C14H22N2O4 — CID 95347650

IUPAC[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCOC[C@@H](O)CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H22N2O4/c1-2-19-11-12(17)10-15-5-7-16(8-6-15)14(18)13-4-3-9-20-13/h3-4,9,12,17H,2,5-8,10-11H2,1H3/t12-/m0/s1
InChIKeyMDBGYXAQKYSULX-LBPRGKRZSA-N
MW282.34 g/mol
LogP0.43
Rot. Bonds6

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

[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 95347650) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is [4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID95347650
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCOC[C@@H](O)CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H22N2O4/c1-2-19-11-12(17)10-15-5-7-16(8-6-15)14(18)13-4-3-9-20-13/h3-4,9,12,17H,2,5-8,10-11H2,1H3/t12-/m0/s1
InChIKeyMDBGYXAQKYSULX-LBPRGKRZSA-N
XLogP0.43
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone
CID 2359522
furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone
CID 95344609
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
[4-[(2S)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 25359245
[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
CID 56803154
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 95613674
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 95322537
[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46445280
1-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 95322523
(2,4-difluorophenyl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95328976
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
1-benzothiophen-2-yl-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95613755

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 95347650) is [4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone is CCOC[C@@H](O)CN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is MDBGYXAQKYSULX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-2-19-11-12(17)10-15-5-7-16(8-6-15)14(18)13-4-3-9-20-13/h3-4,9,12,17H,2,5-8,10-11H2,1H3/t12-/m0/s1.
What are the key properties of [4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 282.34 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 95347650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).