N-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide

C18H20N6O — CID 172898890

IUPACN-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide
SMILESCn1ncc2ncnc(N3CCC(NC(=O)c4ccccc4)CC3)c21
InChIInChI=1S/C18H20N6O/c1-23-16-15(11-21-23)19-12-20-17(16)24-9-7-14(8-10-24)22-18(25)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3,(H,22,25)
InChIKeyAUANKYFUHNMLBS-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.76
Rot. Bonds3

About N-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide

N-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide (PubChem CID 172898890) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide
PubChem CID172898890
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide
SMILESCn1ncc2ncnc(N3CCC(NC(=O)c4ccccc4)CC3)c21
InChIInChI=1S/C18H20N6O/c1-23-16-15(11-21-23)19-12-20-17(16)24-9-7-14(8-10-24)22-18(25)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3,(H,22,25)
InChIKeyAUANKYFUHNMLBS-UHFFFAOYSA-N
XLogP1.76
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]benzamide
CID 172898892
N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide
CID 33378138
2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 172892260
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
1,5-dimethyl-N-(1-phenylpiperidin-4-yl)pyrazole-4-carboxamide
CID 86828696
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
N-[1-(5-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 75450344
methyl 4-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]carbamoyl]benzoate
CID 91631663
N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 38140397
N-[1-[8-(2-chlorophenyl)-9-(6-methyl-3-pyridinyl)purin-6-yl]piperidin-4-yl]benzamide
CID 158255251
2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172903205

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide (CID 172898890) is N-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide is Cn1ncc2ncnc(N3CCC(NC(=O)c4ccccc4)CC3)c21.
What is the InChIKey of N-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide?
The InChIKey is AUANKYFUHNMLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23-16-15(11-21-23)19-12-20-17(16)24-9-7-14(8-10-24)22-18(25)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3,(H,22,25).
What are the key properties of N-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide?
N-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide has a molecular weight of 336.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 172898890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).