4-methyl-6-piperidin-4-yl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one;hydrochloride

C25H29ClN2O3 — CID 171708094

IUPAC4-methyl-6-piperidin-4-yl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one;hydrochloride
SMILESCc1cc(C2CCNCC2)oc(=O)c1C(=O)N1CCC2(C=Cc3ccccc32)CC1.Cl
InChIInChI=1S/C25H28N2O3.ClH/c1-17-16-21(19-7-12-26-13-8-19)30-24(29)22(17)23(28)27-14-10-25(11-15-27)9-6-18-4-2-3-5-20(18)25;/h2-6,9,16,19,26H,7-8,10-15H2,1H3;1H
InChIKeyQSJUEZZJGIAHOV-UHFFFAOYSA-N
MW440.97 g/mol
LogP4.04
Rot. Bonds2

About 4-methyl-6-piperidin-4-yl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one;hydrochloride

4-methyl-6-piperidin-4-yl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one;hydrochloride (PubChem CID 171708094) has the molecular formula C25H29ClN2O3 and a molecular weight of 440.97 g/mol. Its IUPAC name is 4-methyl-6-piperidin-4-yl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one;hydrochloride.

Molecular Properties

Compound Name4-methyl-6-piperidin-4-yl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one;hydrochloride
PubChem CID171708094
Molecular FormulaC25H29ClN2O3
Molecular Weight440.97 g/mol
Exact Mass440.19
IUPAC Name4-methyl-6-piperidin-4-yl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one;hydrochloride
SMILESCc1cc(C2CCNCC2)oc(=O)c1C(=O)N1CCC2(C=Cc3ccccc32)CC1.Cl
InChIInChI=1S/C25H28N2O3.ClH/c1-17-16-21(19-7-12-26-13-8-19)30-24(29)22(17)23(28)27-14-10-25(11-15-27)9-6-18-4-2-3-5-20(18)25;/h2-6,9,16,19,26H,7-8,10-15H2,1H3;1H
InChIKeyQSJUEZZJGIAHOV-UHFFFAOYSA-N
XLogP4.04
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.97
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one
CID 170507797
4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one
CID 170503401
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 70782218
6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one
CID 170511586
2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one
CID 21307058
[4-(pyrrolidin-3-ylmethyl)phenyl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 166623084
3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one
CID 170505270
4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 170507431
6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one
CID 170506178
spiro[indene-1,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 119072765
4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171711229
6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one
CID 170507219

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-piperidin-4-yl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one;hydrochloride?
The IUPAC name of 4-methyl-6-piperidin-4-yl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one;hydrochloride (CID 171708094) is 4-methyl-6-piperidin-4-yl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one;hydrochloride.
What is the SMILES notation for 4-methyl-6-piperidin-4-yl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one;hydrochloride?
The canonical SMILES for 4-methyl-6-piperidin-4-yl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one;hydrochloride is Cc1cc(C2CCNCC2)oc(=O)c1C(=O)N1CCC2(C=Cc3ccccc32)CC1.Cl.
What is the InChIKey of 4-methyl-6-piperidin-4-yl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one;hydrochloride?
The InChIKey is QSJUEZZJGIAHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3.ClH/c1-17-16-21(19-7-12-26-13-8-19)30-24(29)22(17)23(28)27-14-10-25(11-15-27)9-6-18-4-2-3-5-20(18)25;/h2-6,9,16,19,26H,7-8,10-15H2,1H3;1H.
What are the key properties of 4-methyl-6-piperidin-4-yl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one;hydrochloride?
4-methyl-6-piperidin-4-yl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one;hydrochloride has a molecular weight of 440.97 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-piperidin-4-yl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one;hydrochloride is sourced from PubChem (CID 171708094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).