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

C25H30ClNO3 — CID 108726148

IUPAC1'-(adamantane-1-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(Cl)cc2c1OC1(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC1)CC2=O
InChIInChI=1S/C25H30ClNO3/c1-15-6-19(26)10-20-21(28)14-25(30-22(15)20)2-4-27(5-3-25)23(29)24-11-16-7-17(12-24)9-18(8-16)13-24/h6,10,16-18H,2-5,7-9,11-14H2,1H3
InChIKeyBAIUVVDRGUEXCQ-UHFFFAOYSA-N
MW427.97 g/mol
LogP5.19
Rot. Bonds1

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

1'-(adamantane-1-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108726148) has the molecular formula C25H30ClNO3 and a molecular weight of 427.97 g/mol. Its IUPAC name is 1'-(adamantane-1-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(adamantane-1-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108726148
Molecular FormulaC25H30ClNO3
Molecular Weight427.97 g/mol
Exact Mass427.19
IUPAC Name1'-(adamantane-1-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(Cl)cc2c1OC1(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC1)CC2=O
InChIInChI=1S/C25H30ClNO3/c1-15-6-19(26)10-20-21(28)14-25(30-22(15)20)2-4-27(5-3-25)23(29)24-11-16-7-17(12-24)9-18(8-16)13-24/h6,10,16-18H,2-5,7-9,11-14H2,1H3
InChIKeyBAIUVVDRGUEXCQ-UHFFFAOYSA-N
XLogP5.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.97
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-(adamantane-1-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734656
1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735105
methyl 6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108726164
1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726147
1'-[2-(1-adamantyl)acetyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757934
6-chloro-1'-(3-chlorobenzoyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750284
6-chloro-1'-cyclopropylsulfonyl-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108780280
1'-(5-bromofuran-2-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750296
6-chloro-1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750309
6-chloro-8-methyl-1'-(4-nitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750273
6-chloro-1'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726239
6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108771663

Frequently Asked Questions

What is the IUPAC name of 1'-(adamantane-1-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(adamantane-1-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108726148) is 1'-(adamantane-1-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(adamantane-1-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(adamantane-1-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc(Cl)cc2c1OC1(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC1)CC2=O.
What is the InChIKey of 1'-(adamantane-1-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is BAIUVVDRGUEXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClNO3/c1-15-6-19(26)10-20-21(28)14-25(30-22(15)20)2-4-27(5-3-25)23(29)24-11-16-7-17(12-24)9-18(8-16)13-24/h6,10,16-18H,2-5,7-9,11-14H2,1H3.
What are the key properties of 1'-(adamantane-1-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(adamantane-1-carbonyl)-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 427.97 g/mol, XLogP of 5.19, 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-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108726148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).