N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide

C21H30N6O — CID 119068274

IUPACN-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
SMILESCc1nc(CCNC(=O)Cn2ccc(C3CCCNC3)n2)nc2c1CCCC2
InChIInChI=1S/C21H30N6O/c1-15-17-6-2-3-7-19(17)25-20(24-15)8-11-23-21(28)14-27-12-9-18(26-27)16-5-4-10-22-13-16/h9,12,16,22H,2-8,10-11,13-14H2,1H3,(H,23,28)
InChIKeyUAMLQJIZHYJJJJ-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.69
Rot. Bonds6

About N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide

N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide (PubChem CID 119068274) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
PubChem CID119068274
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC NameN-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
SMILESCc1nc(CCNC(=O)Cn2ccc(C3CCCNC3)n2)nc2c1CCCC2
InChIInChI=1S/C21H30N6O/c1-15-17-6-2-3-7-19(17)25-20(24-15)8-11-23-21(28)14-27-12-9-18(26-27)16-5-4-10-22-13-16/h9,12,16,22H,2-8,10-11,13-14H2,1H3,(H,23,28)
InChIKeyUAMLQJIZHYJJJJ-UHFFFAOYSA-N
XLogP1.69
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126446453
N-[2-(2-chlorophenyl)ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428514
N-[(2-methylphenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126426695
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126448514
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126448055
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126438280
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[3-(triazol-1-yl)propyl]acetamide
CID 126444957
2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 126423858
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride
CID 154905231
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428752
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 126454178
N-(3-phenylsulfanylpropyl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126424954

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide?
The IUPAC name of N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide (CID 119068274) is N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide is Cc1nc(CCNC(=O)Cn2ccc(C3CCCNC3)n2)nc2c1CCCC2.
What is the InChIKey of N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide?
The InChIKey is UAMLQJIZHYJJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-15-17-6-2-3-7-19(17)25-20(24-15)8-11-23-21(28)14-27-12-9-18(26-27)16-5-4-10-22-13-16/h9,12,16,22H,2-8,10-11,13-14H2,1H3,(H,23,28).
What are the key properties of N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide?
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide has a molecular weight of 382.51 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide is sourced from PubChem (CID 119068274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).