1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride

C21H26ClN3O — CID 12667858

IUPAC1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride
SMILESCN1C(=O)c2ccccc2N(C)C12CCN(Cc1ccccc1)CC2.Cl
InChIInChI=1S/C21H25N3O.ClH/c1-22-19-11-7-6-10-18(19)20(25)23(2)21(22)12-14-24(15-13-21)16-17-8-4-3-5-9-17;/h3-11H,12-16H2,1-2H3;1H
InChIKeyDDXKZDKXROUZLR-UHFFFAOYSA-N
MW371.91 g/mol
LogP3.62
Rot. Bonds2

About 1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride

1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride (PubChem CID 12667858) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride.

Molecular Properties

Compound Name1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride
PubChem CID12667858
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride
SMILESCN1C(=O)c2ccccc2N(C)C12CCN(Cc1ccccc1)CC2.Cl
InChIInChI=1S/C21H25N3O.ClH/c1-22-19-11-7-6-10-18(19)20(25)23(2)21(22)12-14-24(15-13-21)16-17-8-4-3-5-9-17;/h3-11H,12-16H2,1-2H3;1H
InChIKeyDDXKZDKXROUZLR-UHFFFAOYSA-N
XLogP3.62
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143670
8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride
CID 121005441
1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
CID 10613541
1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione
CID 23363916
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one
CID 139817345
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
3-benzyl-1-methyl-8-[(4-methylsulfanylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224503
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075
1-benzyl-4-(diethylamino)piperidine-4-carboxylic acid
CID 43803654
3-benzyl-6,6-dimethyl-1,3-oxazinane
CID 129106291

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride?
The IUPAC name of 1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride (CID 12667858) is 1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride.
What is the SMILES notation for 1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride?
The canonical SMILES for 1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride is CN1C(=O)c2ccccc2N(C)C12CCN(Cc1ccccc1)CC2.Cl.
What is the InChIKey of 1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride?
The InChIKey is DDXKZDKXROUZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O.ClH/c1-22-19-11-7-6-10-18(19)20(25)23(2)21(22)12-14-24(15-13-21)16-17-8-4-3-5-9-17;/h3-11H,12-16H2,1-2H3;1H.
What are the key properties of 1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride?
1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride has a molecular weight of 371.91 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride is sourced from PubChem (CID 12667858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).