spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride

C12H16ClN3O — CID 68664926

IUPACspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
SMILESCl.O=C1NC2(CCNCC2)Nc2ccccc21
InChIInChI=1S/C12H15N3O.ClH/c16-11-9-3-1-2-4-10(9)14-12(15-11)5-7-13-8-6-12;/h1-4,13-14H,5-8H2,(H,15,16);1H
InChIKeyOPDGQYWVGTUVJA-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.34
Rot. Bonds

About spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride

spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride (PubChem CID 68664926) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride.

Molecular Properties

Compound Namespiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
PubChem CID68664926
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Namespiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
SMILESCl.O=C1NC2(CCNCC2)Nc2ccccc21
InChIInChI=1S/C12H15N3O.ClH/c16-11-9-3-1-2-4-10(9)14-12(15-11)5-7-13-8-6-12;/h1-4,13-14H,5-8H2,(H,15,16);1H
InChIKeyOPDGQYWVGTUVJA-UHFFFAOYSA-N
XLogP1.34
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride?
The IUPAC name of spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride (CID 68664926) is spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride.
What is the SMILES notation for spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride?
The canonical SMILES for spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride is Cl.O=C1NC2(CCNCC2)Nc2ccccc21.
What is the InChIKey of spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride?
The InChIKey is OPDGQYWVGTUVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.ClH/c16-11-9-3-1-2-4-10(9)14-12(15-11)5-7-13-8-6-12;/h1-4,13-14H,5-8H2,(H,15,16);1H.
What are the key properties of spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride?
spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 1.34, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride is sourced from PubChem (CID 68664926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).