N-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide

C21H24N4O2 — CID 53169534

IUPACN-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCN1c2ccccc2C(=O)NC12CCN(C(=O)NCc1ccccc1)CC2
InChIInChI=1S/C21H24N4O2/c1-24-18-10-6-5-9-17(18)19(26)23-21(24)11-13-25(14-12-21)20(27)22-15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,27)(H,23,26)
InChIKeyANFPMAQTPBPLGI-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.57
Rot. Bonds2

About N-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide

N-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 53169534) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
PubChem CID53169534
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCN1c2ccccc2C(=O)NC12CCN(C(=O)NCc1ccccc1)CC2
InChIInChI=1S/C21H24N4O2/c1-24-18-10-6-5-9-17(18)19(26)23-21(24)11-13-25(14-12-21)20(27)22-15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,27)(H,23,26)
InChIKeyANFPMAQTPBPLGI-UHFFFAOYSA-N
XLogP2.57
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169557
N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169538
N-(3-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169540
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
7-fluoro-1-methyl-1'-(2-phenylacetyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53169379
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169561
N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide
CID 107653594
N-benzylazonane-1-carboxamide
CID 130689649
1-benzyl-1'-(4-tert-butylcyclohexyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 11612040
7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide
CID 97472653

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide (CID 53169534) is N-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide is CN1c2ccccc2C(=O)NC12CCN(C(=O)NCc1ccccc1)CC2.
What is the InChIKey of N-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is ANFPMAQTPBPLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24-18-10-6-5-9-17(18)19(26)23-21(24)11-13-25(14-12-21)20(27)22-15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,27)(H,23,26).
What are the key properties of N-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
N-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 53169534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).