1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

C26H33NO3 — CID 108734656

IUPAC1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(C)c2c(c1)C(=O)CC1(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC1)O2
InChIInChI=1S/C26H33NO3/c1-16-7-17(2)23-21(8-16)22(28)15-26(30-23)3-5-27(6-4-26)24(29)25-12-18-9-19(13-25)11-20(10-18)14-25/h7-8,18-20H,3-6,9-15H2,1-2H3
InChIKeyPQVZGAFQOCNSCP-UHFFFAOYSA-N
MW407.55 g/mol
LogP4.85
Rot. Bonds1

About 1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108734656) has the molecular formula C26H33NO3 and a molecular weight of 407.55 g/mol. Its IUPAC name is 1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108734656
Molecular FormulaC26H33NO3
Molecular Weight407.55 g/mol
Exact Mass407.25
IUPAC Name1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(C)c2c(c1)C(=O)CC1(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC1)O2
InChIInChI=1S/C26H33NO3/c1-16-7-17(2)23-21(8-16)22(28)15-26(30-23)3-5-27(6-4-26)24(29)25-12-18-9-19(13-25)11-20(10-18)14-25/h7-8,18-20H,3-6,9-15H2,1-2H3
InChIKeyPQVZGAFQOCNSCP-UHFFFAOYSA-N
XLogP4.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.55
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(adamantane-1-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726148
1'-[2-(1-adamantyl)acetyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757934
1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735105
1'-[2-(2-methoxyethoxy)acetyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734649
6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734745
methyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108726164
1'-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757959
N-[3-(6,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 108758014
1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726147
1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734708
6,8-dimethyl-1'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734604
6-chloro-1'-(3-chlorobenzoyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750284

Frequently Asked Questions

What is the IUPAC name of 1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108734656) is 1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc(C)c2c(c1)C(=O)CC1(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC1)O2.
What is the InChIKey of 1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is PQVZGAFQOCNSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO3/c1-16-7-17(2)23-21(8-16)22(28)15-26(30-23)3-5-27(6-4-26)24(29)25-12-18-9-19(13-25)11-20(10-18)14-25/h7-8,18-20H,3-6,9-15H2,1-2H3.
What are the key properties of 1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 407.55 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108734656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).