N-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-ethylacetamide

C21H30N2O2 — CID 143841918

IUPACN-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)c1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2
InChIInChI=1S/C21H30N2O2/c1-3-23(16(2)24)19-7-8-20-17(15-19)9-10-21(25-20)11-13-22(14-12-21)18-5-4-6-18/h7-8,15,18H,3-6,9-14H2,1-2H3
InChIKeyLTSQUYHYFYLIJP-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.77
Rot. Bonds3

About N-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-ethylacetamide

N-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-ethylacetamide (PubChem CID 143841918) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-ethylacetamide
PubChem CID143841918
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)c1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2
InChIInChI=1S/C21H30N2O2/c1-3-23(16(2)24)19-7-8-20-17(15-19)9-10-21(25-20)11-13-22(14-12-21)18-5-4-6-18/h7-8,15,18H,3-6,9-14H2,1-2H3
InChIKeyLTSQUYHYFYLIJP-UHFFFAOYSA-N
XLogP3.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpiperidine-1-carboxamide
CID 58199039
1-(1'-cyclobutylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-N,N-dimethylmethanamine
CID 66821868
4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide
CID 58199268
5-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-4-methyl-1H-pyridin-2-one
CID 58198913
4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpyridine-2-carboxamide
CID 58199212
4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2,6-difluoro-N-(2-methoxyethyl)benzamide
CID 58199013
4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylaniline;formaldehyde
CID 143841877
1'-cyclobutyl-6-pyridin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 58199129
1'-cyclobutyl-6-piperidin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 58198985
1'-cyclohexyl-N-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-7-carboxamide
CID 122619555
6-[1-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)piperidin-4-yl]oxy-N-methylpyridine-3-carboxamide
CID 58199187
4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(2-ethenoxyethyl)-2-fluoro-N-methylbenzamide
CID 163467068

Frequently Asked Questions

What is the IUPAC name of N-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-ethylacetamide?
The IUPAC name of N-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-ethylacetamide (CID 143841918) is N-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-ethylacetamide.
What is the SMILES notation for N-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-ethylacetamide?
The canonical SMILES for N-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-ethylacetamide is CCN(C(C)=O)c1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2.
What is the InChIKey of N-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-ethylacetamide?
The InChIKey is LTSQUYHYFYLIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-3-23(16(2)24)19-7-8-20-17(15-19)9-10-21(25-20)11-13-22(14-12-21)18-5-4-6-18/h7-8,15,18H,3-6,9-14H2,1-2H3.
What are the key properties of N-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-ethylacetamide?
N-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-ethylacetamide has a molecular weight of 342.48 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-ethylacetamide is sourced from PubChem (CID 143841918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).