N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide

C22H26N4O2 — CID 53169557

IUPACN-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCc1ccc2c(c1)C(=O)NC1(CCN(C(=O)NCc3ccccc3)CC1)N2C
InChIInChI=1S/C22H26N4O2/c1-16-8-9-19-18(14-16)20(27)24-22(25(19)2)10-12-26(13-11-22)21(28)23-15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyIYMXPKXMQVZUOW-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.88
Rot. Bonds2

About N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide

N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 53169557) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
PubChem CID53169557
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCc1ccc2c(c1)C(=O)NC1(CCN(C(=O)NCc3ccccc3)CC1)N2C
InChIInChI=1S/C22H26N4O2/c1-16-8-9-19-18(14-16)20(27)24-22(25(19)2)10-12-26(13-11-22)21(28)23-15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyIYMXPKXMQVZUOW-UHFFFAOYSA-N
XLogP2.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169534
1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169561
N-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169556
N-(4-methoxyphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169562
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-4-(3-methylbenzoyl)piperazine-1-carboxamide
CID 23855406
N-(3-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169540
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330
6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169600
N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169538
N-benzyl-4-[2-(2,5-dimethylphenyl)acetyl]piperazine-1-carboxamide
CID 110812883

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide (CID 53169557) is N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide is Cc1ccc2c(c1)C(=O)NC1(CCN(C(=O)NCc3ccccc3)CC1)N2C.
What is the InChIKey of N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is IYMXPKXMQVZUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-8-9-19-18(14-16)20(27)24-22(25(19)2)10-12-26(13-11-22)21(28)23-15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 53169557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).