5-chloro-3-methylspiro[3H-chromene-2,4'-piperidine]-4-one

C14H16ClNO2 — CID 68753647

IUPAC5-chloro-3-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC1C(=O)c2c(Cl)cccc2OC12CCNCC2
InChIInChI=1S/C14H16ClNO2/c1-9-13(17)12-10(15)3-2-4-11(12)18-14(9)5-7-16-8-6-14/h2-4,9,16H,5-8H2,1H3
InChIKeyHEJFGXXICZKSQN-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.67
Rot. Bonds

About 5-chloro-3-methylspiro[3H-chromene-2,4'-piperidine]-4-one

5-chloro-3-methylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 68753647) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 5-chloro-3-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name5-chloro-3-methylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID68753647
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name5-chloro-3-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC1C(=O)c2c(Cl)cccc2OC12CCNCC2
InChIInChI=1S/C14H16ClNO2/c1-9-13(17)12-10(15)3-2-4-11(12)18-14(9)5-7-16-8-6-14/h2-4,9,16H,5-8H2,1H3
InChIKeyHEJFGXXICZKSQN-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 117103622
(3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
CID 155095733
4-[1-(2-chloro-6-methylbenzoyl)piperidin-4-yl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 91447880
N-(2,6-dichlorophenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 65469174
3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 15571630
4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride
CID 68663344
(4S)-6-chloro-3'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945179
4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114501801
5-(2-chlorophenyl)-2,2-dimethyl-1,3-benzodioxin-4-one
CID 102434881
6-azaspiro[2.5]octan-2-yl-(2,3-dichlorophenyl)methanone
CID 116573087
2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569084
spiro[3H-1-benzofuran-2,4'-piperidine]-3,6-diol
CID 105477452

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 5-chloro-3-methylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 68753647) is 5-chloro-3-methylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 5-chloro-3-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 5-chloro-3-methylspiro[3H-chromene-2,4'-piperidine]-4-one is CC1C(=O)c2c(Cl)cccc2OC12CCNCC2.
What is the InChIKey of 5-chloro-3-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is HEJFGXXICZKSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-9-13(17)12-10(15)3-2-4-11(12)18-14(9)5-7-16-8-6-14/h2-4,9,16H,5-8H2,1H3.
What are the key properties of 5-chloro-3-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
5-chloro-3-methylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 265.74 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 68753647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).