1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid

C15H21N3O2 — CID 102549336

IUPAC1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
SMILESCc1nc2c(c(N3CCCC(C(=O)O)C3)n1)CCCC2
InChIInChI=1S/C15H21N3O2/c1-10-16-13-7-3-2-6-12(13)14(17-10)18-8-4-5-11(9-18)15(19)20/h11H,2-9H2,1H3,(H,19,20)
InChIKeyXWUIANZGTUCCCR-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.96
Rot. Bonds2

About 1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid

1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid (PubChem CID 102549336) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
PubChem CID102549336
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
SMILESCc1nc2c(c(N3CCCC(C(=O)O)C3)n1)CCCC2
InChIInChI=1S/C15H21N3O2/c1-10-16-13-7-3-2-6-12(13)14(17-10)18-8-4-5-11(9-18)15(19)20/h11H,2-9H2,1H3,(H,19,20)
InChIKeyXWUIANZGTUCCCR-UHFFFAOYSA-N
XLogP1.96
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylate
CID 133472617
(4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone
CID 133461027
1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102549351
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667
1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549361
2-methyl-4-[3-(4-methylpiperazin-1-yl)azepan-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461921
(4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine
CID 124744132
1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 102549318
[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]urea
CID 133461617
tert-butyl N-[(3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]carbamate
CID 133472766
2-methyl-4-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 124885661
4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133460481

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid (CID 102549336) is 1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid is Cc1nc2c(c(N3CCCC(C(=O)O)C3)n1)CCCC2.
What is the InChIKey of 1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is XWUIANZGTUCCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-16-13-7-3-2-6-12(13)14(17-10)18-8-4-5-11(9-18)15(19)20/h11H,2-9H2,1H3,(H,19,20).
What are the key properties of 1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid?
1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 102549336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).