furan-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone

C19H28N2O3 — CID 164630611

IUPACfuran-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(CC2([C@@H]3CCCCO3)CCC2)CC1
InChIInChI=1S/C19H28N2O3/c22-18(16-5-3-14-23-16)21-11-9-20(10-12-21)15-19(7-4-8-19)17-6-1-2-13-24-17/h3,5,14,17H,1-2,4,6-13,15H2/t17-/m0/s1
InChIKeyKCEXISYNQXTZEW-KRWDZBQOSA-N
MW332.44 g/mol
LogP2.78
Rot. Bonds4

About furan-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone (PubChem CID 164630611) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is furan-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone
PubChem CID164630611
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namefuran-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(CC2([C@@H]3CCCCO3)CCC2)CC1
InChIInChI=1S/C19H28N2O3/c22-18(16-5-3-14-23-16)21-11-9-20(10-12-21)15-19(7-4-8-19)17-6-1-2-13-24-17/h3,5,14,17H,1-2,4,6-13,15H2/t17-/m0/s1
InChIKeyKCEXISYNQXTZEW-KRWDZBQOSA-N
XLogP2.78
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze furan-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110414536
[(4aR,8aR)-4a-(prop-2-enoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(furan-2-yl)methanone
CID 97379636
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 124754048
[(4aS,8aR)-4a-(pyridin-4-ylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(furan-2-yl)methanone
CID 97364132
2-[[6-(furan-2-carbonyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 131650789
2-[[(4aS,8aR)-6-(furan-2-carbonyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97379697
[(4aS,8aS)-4a-(pyridin-3-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(furan-2-yl)methanone
CID 97363960
azepan-1-yl(furan-2-yl)methanone
CID 5200992
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 55119191
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
[4a-(pyridin-4-ylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155834828

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone (CID 164630611) is furan-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(CC2([C@@H]3CCCCO3)CCC2)CC1.
What is the InChIKey of furan-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone?
The InChIKey is KCEXISYNQXTZEW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-18(16-5-3-14-23-16)21-11-9-20(10-12-21)15-19(7-4-8-19)17-6-1-2-13-24-17/h3,5,14,17H,1-2,4,6-13,15H2/t17-/m0/s1.
What are the key properties of furan-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone has a molecular weight of 332.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 164630611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).