4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide

C15H23N3O3 — CID 53498467

IUPAC4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC1CCOC1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C15H23N3O3/c19-15(16-10-13-3-9-20-12-13)18-6-4-17(5-7-18)11-14-2-1-8-21-14/h1-2,8,13H,3-7,9-12H2,(H,16,19)
InChIKeyZTJUSHFRTNSXLM-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.14
Rot. Bonds4

About 4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide

4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 53498467) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide
PubChem CID53498467
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC1CCOC1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C15H23N3O3/c19-15(16-10-13-3-9-20-12-13)18-6-4-17(5-7-18)11-14-2-1-8-21-14/h1-2,8,13H,3-7,9-12H2,(H,16,19)
InChIKeyZTJUSHFRTNSXLM-UHFFFAOYSA-N
XLogP1.14
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 86972547
1-(furan-2-ylmethyl)-5-oxo-N-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide
CID 53497974
N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 94124309
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106373
4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide
CID 119070855
4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113106387
[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone
CID 74248102
N-(2-tert-butylsulfanylethyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 86884757
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide
CID 16896113
4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide
CID 94124307
4-benzoyl-N-(oxan-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 136578291
2,6-difluoro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896109

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide (CID 53498467) is 4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide is O=C(NCC1CCOC1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is ZTJUSHFRTNSXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c19-15(16-10-13-3-9-20-12-13)18-6-4-17(5-7-18)11-14-2-1-8-21-14/h1-2,8,13H,3-7,9-12H2,(H,16,19).
What are the key properties of 4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 53498467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).