3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-N,N-dimethylpiperidine-1-carboxamide

C23H33N3O4 — CID 163316805

IUPAC3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
SMILESCOc1ccc2c(c1)CCOC21CCN(C(=O)C2CCCN(C(=O)N(C)C)C2)CC1
InChIInChI=1S/C23H33N3O4/c1-24(2)22(28)26-11-4-5-18(16-26)21(27)25-12-9-23(10-13-25)20-7-6-19(29-3)15-17(20)8-14-30-23/h6-7,15,18H,4-5,8-14,16H2,1-3H3
InChIKeyRYRLRIUNOPQICX-UHFFFAOYSA-N
MW415.53 g/mol
LogP2.48
Rot. Bonds2

About 3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-N,N-dimethylpiperidine-1-carboxamide

3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 163316805) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID163316805
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
SMILESCOc1ccc2c(c1)CCOC21CCN(C(=O)C2CCCN(C(=O)N(C)C)C2)CC1
InChIInChI=1S/C23H33N3O4/c1-24(2)22(28)26-11-4-5-18(16-26)21(27)25-12-9-23(10-13-25)20-7-6-19(29-3)15-17(20)8-14-30-23/h6-7,15,18H,4-5,8-14,16H2,1-3H3
InChIKeyRYRLRIUNOPQICX-UHFFFAOYSA-N
XLogP2.48
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135117415
cis-methyl (1R,3S)-3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)cyclopentane-1-carboxylate
CID 163310104
(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(oxolan-3-yl)methanone
CID 135104833
[1-(2-methoxyethyl)pyrrolidin-3-yl]-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135112535
2-(azepan-1-yl)-1-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)propan-1-one
CID 135116924
2,5-dihydro-1H-pyrrol-2-yl-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135092411
[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 163315370
1-[5-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)thiophen-2-yl]ethanone
CID 135094281
(4-chloro-1-methylpyrrol-2-yl)-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135100622
(2-amino-5-hydroxyphenyl)-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135087301
1-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one
CID 135093120
3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 60756295

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-N,N-dimethylpiperidine-1-carboxamide (CID 163316805) is 3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-N,N-dimethylpiperidine-1-carboxamide is COc1ccc2c(c1)CCOC21CCN(C(=O)C2CCCN(C(=O)N(C)C)C2)CC1.
What is the InChIKey of 3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is RYRLRIUNOPQICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-24(2)22(28)26-11-4-5-18(16-26)21(27)25-12-9-23(10-13-25)20-7-6-19(29-3)15-17(20)8-14-30-23/h6-7,15,18H,4-5,8-14,16H2,1-3H3.
What are the key properties of 3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 415.53 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 163316805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).