2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide

C16H24N4O — CID 133462172

IUPAC2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide
SMILESCc1nc2c(c(N3CCCCC3CC(N)=O)n1)CCCC2
InChIInChI=1S/C16H24N4O/c1-11-18-14-8-3-2-7-13(14)16(19-11)20-9-5-4-6-12(20)10-15(17)21/h12H,2-10H2,1H3,(H2,17,21)
InChIKeyHHXWVQZWIUWWSS-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.90
Rot. Bonds3

About 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide

2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide (PubChem CID 133462172) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide
PubChem CID133462172
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide
SMILESCc1nc2c(c(N3CCCCC3CC(N)=O)n1)CCCC2
InChIInChI=1S/C16H24N4O/c1-11-18-14-8-3-2-7-13(14)16(19-11)20-9-5-4-6-12(20)10-15(17)21/h12H,2-10H2,1H3,(H2,17,21)
InChIKeyHHXWVQZWIUWWSS-UHFFFAOYSA-N
XLogP1.90
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]urea
CID 133461617
1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
CID 102549336
2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924605
4-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]pyrrolidin-2-one
CID 133462213
ethyl (3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylate
CID 133472617
4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133461624
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667
1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
CID 133462020
[1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 137363788
(4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone
CID 133461027
2-methyl-4-[3-(4-methylpiperazin-1-yl)azepan-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461921
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461386

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide?
The IUPAC name of 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide (CID 133462172) is 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide?
The canonical SMILES for 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide is Cc1nc2c(c(N3CCCCC3CC(N)=O)n1)CCCC2.
What is the InChIKey of 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide?
The InChIKey is HHXWVQZWIUWWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11-18-14-8-3-2-7-13(14)16(19-11)20-9-5-4-6-12(20)10-15(17)21/h12H,2-10H2,1H3,(H2,17,21).
What are the key properties of 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide?
2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide has a molecular weight of 288.39 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide is sourced from PubChem (CID 133462172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).