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

C24H28ClNO3 — CID 108735105

IUPAC1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C24H28ClNO3/c25-18-1-2-21-19(10-18)20(27)14-24(29-21)3-5-26(6-4-24)22(28)23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-17H,3-9,11-14H2
InChIKeyPGSPSAGYILKRIU-UHFFFAOYSA-N
MW413.95 g/mol
LogP4.88
Rot. Bonds1

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

1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108735105) has the molecular formula C24H28ClNO3 and a molecular weight of 413.95 g/mol. Its IUPAC name is 1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108735105
Molecular FormulaC24H28ClNO3
Molecular Weight413.95 g/mol
Exact Mass413.18
IUPAC Name1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C24H28ClNO3/c25-18-1-2-21-19(10-18)20(27)14-24(29-21)3-5-26(6-4-24)22(28)23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-17H,3-9,11-14H2
InChIKeyPGSPSAGYILKRIU-UHFFFAOYSA-N
XLogP4.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.88
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'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734656
1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758290
5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 44770169
1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758307
6-chloro-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 23641501
6-chloro-1'-(naphthalene-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758396
butyl 6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735122
1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione
CID 108735144
6-chloro-1'-(3,6-dichloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735063
4-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 108758337
6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114672944

Frequently Asked Questions

What is the IUPAC name of 1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one (CID 108735105) is 1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)Oc2ccc(Cl)cc21.
What is the InChIKey of 1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is PGSPSAGYILKRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClNO3/c25-18-1-2-21-19(10-18)20(27)14-24(29-21)3-5-26(6-4-24)22(28)23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-17H,3-9,11-14H2.
What are the key properties of 1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 413.95 g/mol, XLogP of 4.88, 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-chlorospiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108735105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).