5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C22H25N3O2 — CID 46169461

IUPAC5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCc1cccc2c1C(=O)NC1(CCN(C(=O)CCc3ccccc3)CC1)N2
InChIInChI=1S/C22H25N3O2/c1-16-6-5-9-18-20(16)21(27)24-22(23-18)12-14-25(15-13-22)19(26)11-10-17-7-3-2-4-8-17/h2-9,23H,10-15H2,1H3,(H,24,27)
InChIKeyNQGAVLMKYXXEFE-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.10
Rot. Bonds3

About 5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 46169461) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID46169461
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCc1cccc2c1C(=O)NC1(CCN(C(=O)CCc3ccccc3)CC1)N2
InChIInChI=1S/C22H25N3O2/c1-16-6-5-9-18-20(16)21(27)24-22(23-18)12-14-25(15-13-22)19(26)11-10-17-7-3-2-4-8-17/h2-9,23H,10-15H2,1H3,(H,24,27)
InChIKeyNQGAVLMKYXXEFE-UHFFFAOYSA-N
XLogP3.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 136577906
5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875532
4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid
CID 63123391
3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 110833337
methyl 3-oxo-3-(4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)propanoate
CID 134069534
5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875507
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
1-[4-(dimethylamino)-4-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 166689549
5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46169482
5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 24716812
6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875396

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 46169461) is 5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is Cc1cccc2c1C(=O)NC1(CCN(C(=O)CCc3ccccc3)CC1)N2.
What is the InChIKey of 5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is NQGAVLMKYXXEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-6-5-9-18-20(16)21(27)24-22(23-18)12-14-25(15-13-22)19(26)11-10-17-7-3-2-4-8-17/h2-9,23H,10-15H2,1H3,(H,24,27).
What are the key properties of 5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 363.46 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 46169461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).