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

C20H28N6O — CID 126448514

IUPACN-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESCc1nc(CNC(=O)Cn2nccc2[C@H]2CCCNC2)nc2c1CCCC2
InChIInChI=1S/C20H28N6O/c1-14-16-6-2-3-7-17(16)25-19(24-14)12-22-20(27)13-26-18(8-10-23-26)15-5-4-9-21-11-15/h8,10,15,21H,2-7,9,11-13H2,1H3,(H,22,27)/t15-/m0/s1
InChIKeyHJEJEHRDJUFUQQ-HNNXBMFYSA-N
MW368.49 g/mol
LogP1.64
Rot. Bonds5

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

N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide (PubChem CID 126448514) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
PubChem CID126448514
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESCc1nc(CNC(=O)Cn2nccc2[C@H]2CCCNC2)nc2c1CCCC2
InChIInChI=1S/C20H28N6O/c1-14-16-6-2-3-7-17(16)25-19(24-14)12-22-20(27)13-26-18(8-10-23-26)15-5-4-9-21-11-15/h8,10,15,21H,2-7,9,11-13H2,1H3,(H,22,27)/t15-/m0/s1
InChIKeyHJEJEHRDJUFUQQ-HNNXBMFYSA-N
XLogP1.64
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.64
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
2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 126443982
2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
CID 154905162
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126449343
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126452488
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126430454
N-(2-piperidin-1-ylethyl)-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119074986
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126437647
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119068274
2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 154905968
4-fluoro-N-[2-[[2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]ethyl]benzamide
CID 126431022
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126439940

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide (CID 126448514) is N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide is Cc1nc(CNC(=O)Cn2nccc2[C@H]2CCCNC2)nc2c1CCCC2.
What is the InChIKey of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is HJEJEHRDJUFUQQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-14-16-6-2-3-7-17(16)25-19(24-14)12-22-20(27)13-26-18(8-10-23-26)15-5-4-9-21-11-15/h8,10,15,21H,2-7,9,11-13H2,1H3,(H,22,27)/t15-/m0/s1.
What are the key properties of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 368.49 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 126448514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).