1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C20H23N3O — CID 136577906

IUPAC1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCc1cccc2c1C(=O)NC1(CCN(Cc3ccccc3)CC1)N2
InChIInChI=1S/C20H23N3O/c1-15-6-5-9-17-18(15)19(24)22-20(21-17)10-12-23(13-11-20)14-16-7-3-2-4-8-16/h2-9,21H,10-14H2,1H3,(H,22,24)
InChIKeyLLSUMNHJPBTULR-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.14
Rot. Bonds2

About 1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 136577906) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID136577906
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCc1cccc2c1C(=O)NC1(CCN(Cc3ccccc3)CC1)N2
InChIInChI=1S/C20H23N3O/c1-15-6-5-9-17-18(15)19(24)22-20(21-17)10-12-23(13-11-20)14-16-7-3-2-4-8-16/h2-9,21H,10-14H2,1H3,(H,22,24)
InChIKeyLLSUMNHJPBTULR-UHFFFAOYSA-N
XLogP3.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46169461
5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875661
5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875532
1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
CID 171670041
7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875608
6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875623
3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
CID 74975569
5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875504
5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875507
8-methyl-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875634
5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 24716812
1-benzyl-4,4-dimethyl-1,5-diazocane
CID 117014627

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 136577906) is 1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is Cc1cccc2c1C(=O)NC1(CCN(Cc3ccccc3)CC1)N2.
What is the InChIKey of 1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is LLSUMNHJPBTULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15-6-5-9-17-18(15)19(24)22-20(21-17)10-12-23(13-11-20)14-16-7-3-2-4-8-16/h2-9,21H,10-14H2,1H3,(H,22,24).
What are the key properties of 1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 321.42 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 136577906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).