2-methyl-2-(2H-quinazolin-1-yl)piperidine-1-carboxylic acid

C15H19N3O2 — CID 67975484

IUPAC2-methyl-2-(2H-quinazolin-1-yl)piperidine-1-carboxylic acid
SMILESCC1(N2CN=Cc3ccccc32)CCCCN1C(=O)O
InChIInChI=1S/C15H19N3O2/c1-15(8-4-5-9-17(15)14(19)20)18-11-16-10-12-6-2-3-7-13(12)18/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,19,20)
InChIKeyMROLADIOHJMDIH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.76
Rot. Bonds1

About 2-methyl-2-(2H-quinazolin-1-yl)piperidine-1-carboxylic acid

2-methyl-2-(2H-quinazolin-1-yl)piperidine-1-carboxylic acid (PubChem CID 67975484) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-methyl-2-(2H-quinazolin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-(2H-quinazolin-1-yl)piperidine-1-carboxylic acid
PubChem CID67975484
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-methyl-2-(2H-quinazolin-1-yl)piperidine-1-carboxylic acid
SMILESCC1(N2CN=Cc3ccccc32)CCCCN1C(=O)O
InChIInChI=1S/C15H19N3O2/c1-15(8-4-5-9-17(15)14(19)20)18-11-16-10-12-6-2-3-7-13(12)18/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,19,20)
InChIKeyMROLADIOHJMDIH-UHFFFAOYSA-N
XLogP2.76
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1(2H)-Quinolinecarboxamide, 6-fluoro-3,4-dihydro-4-(hydroxyimino)-N,N-dimethyl-
CID 6510086
1-Allylquinazolone
CID 21755397
1-Methylquinazolin-2(1H)-one
CID 22914665
alpha-Formylquinazolone
CID 88691864
N-carboxyquinazolinone
CID 129677213
2-Styrylquinazolinone
CID 129734445
Tetramethylenequinazolone
CID 129819837
4-[(E)-[(4-fluorophenyl)methylidene]amino]-3,5-dimethyl-1-phenyl-2,3-dihydro-1H-imidazol-2-one
CID 9682374
6-fluoro-4-hydroxyimino-N,N-dimethyl-2,3-dihydroquinoline-1-carboxamide
CID 3067742
4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid
CID 57171080
1-(2,2,2-Trifluoroethyl)quinazolin-2-one
CID 68145840
1-(1,1,1-Trifluoropropan-2-yl)quinazolin-2-one
CID 68739259

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2H-quinazolin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 2-methyl-2-(2H-quinazolin-1-yl)piperidine-1-carboxylic acid (CID 67975484) is 2-methyl-2-(2H-quinazolin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-(2H-quinazolin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-(2H-quinazolin-1-yl)piperidine-1-carboxylic acid is CC1(N2CN=Cc3ccccc32)CCCCN1C(=O)O.
What is the InChIKey of 2-methyl-2-(2H-quinazolin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is MROLADIOHJMDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(8-4-5-9-17(15)14(19)20)18-11-16-10-12-6-2-3-7-13(12)18/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,19,20).
What are the key properties of 2-methyl-2-(2H-quinazolin-1-yl)piperidine-1-carboxylic acid?
2-methyl-2-(2H-quinazolin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2H-quinazolin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67975484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).