1'-cyclobutyl-6-(morpholin-4-ylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]

C21H30N2O2 — CID 66821876

IUPAC1'-cyclobutyl-6-(morpholin-4-ylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]
SMILESc1cc2c(cc1CN1CCOCC1)OC1(CCN(C3CCC3)CC1)C2
InChIInChI=1S/C21H30N2O2/c1-2-19(3-1)23-8-6-21(7-9-23)15-18-5-4-17(14-20(18)25-21)16-22-10-12-24-13-11-22/h4-5,14,19H,1-3,6-13,15-16H2
InChIKeyBHBNTLHFCLXSIJ-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.84
Rot. Bonds3

About 1'-cyclobutyl-6-(morpholin-4-ylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]

1'-cyclobutyl-6-(morpholin-4-ylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine] (PubChem CID 66821876) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1'-cyclobutyl-6-(morpholin-4-ylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine].

Molecular Properties

Compound Name1'-cyclobutyl-6-(morpholin-4-ylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]
PubChem CID66821876
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1'-cyclobutyl-6-(morpholin-4-ylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]
SMILESc1cc2c(cc1CN1CCOCC1)OC1(CCN(C3CCC3)CC1)C2
InChIInChI=1S/C21H30N2O2/c1-2-19(3-1)23-8-6-21(7-9-23)15-18-5-4-17(14-20(18)25-21)16-22-10-12-24-13-11-22/h4-5,14,19H,1-3,6-13,15-16H2
InChIKeyBHBNTLHFCLXSIJ-UHFFFAOYSA-N
XLogP2.84
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine
CID 66821868
1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 58035370
(5S)-10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472090
1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-pyrrolidine]
CID 175176145
6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 91200429
10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 155876656
(5S)-2-(oxan-4-yl)-10-(thiophen-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472060
1'-cyclohexyl-N-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-7-carboxamide
CID 122619555
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
8-cyclobutyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]dec-2-ene
CID 91573900
4-(3H-indol-5-ylmethyl)morpholine
CID 66987618

Frequently Asked Questions

What is the IUPAC name of 1'-cyclobutyl-6-(morpholin-4-ylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]?
The IUPAC name of 1'-cyclobutyl-6-(morpholin-4-ylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine] (CID 66821876) is 1'-cyclobutyl-6-(morpholin-4-ylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine].
What is the SMILES notation for 1'-cyclobutyl-6-(morpholin-4-ylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]?
The canonical SMILES for 1'-cyclobutyl-6-(morpholin-4-ylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine] is c1cc2c(cc1CN1CCOCC1)OC1(CCN(C3CCC3)CC1)C2.
What is the InChIKey of 1'-cyclobutyl-6-(morpholin-4-ylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]?
The InChIKey is BHBNTLHFCLXSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-2-19(3-1)23-8-6-21(7-9-23)15-18-5-4-17(14-20(18)25-21)16-22-10-12-24-13-11-22/h4-5,14,19H,1-3,6-13,15-16H2.
What are the key properties of 1'-cyclobutyl-6-(morpholin-4-ylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]?
1'-cyclobutyl-6-(morpholin-4-ylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine] has a molecular weight of 342.48 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclobutyl-6-(morpholin-4-ylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine] is sourced from PubChem (CID 66821876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).