N-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide

C16H21N5O2 — CID 92633814

IUPACN-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide
SMILESCNC(=O)CC1CCN(C(=O)c2cnn3cc(C)cnc23)CC1
InChIInChI=1S/C16H21N5O2/c1-11-8-18-15-13(9-19-21(15)10-11)16(23)20-5-3-12(4-6-20)7-14(22)17-2/h8-10,12H,3-7H2,1-2H3,(H,17,22)
InChIKeySIZNRZWYIPBLSZ-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.03
Rot. Bonds3

About N-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide

N-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide (PubChem CID 92633814) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide
PubChem CID92633814
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide
SMILESCNC(=O)CC1CCN(C(=O)c2cnn3cc(C)cnc23)CC1
InChIInChI=1S/C16H21N5O2/c1-11-8-18-15-13(9-19-21(15)10-11)16(23)20-5-3-12(4-6-20)7-14(22)17-2/h8-10,12H,3-7H2,1-2H3,(H,17,22)
InChIKeySIZNRZWYIPBLSZ-UHFFFAOYSA-N
XLogP1.03
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide (CID 92633814) is N-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide is CNC(=O)CC1CCN(C(=O)c2cnn3cc(C)cnc23)CC1.
What is the InChIKey of N-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is SIZNRZWYIPBLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-8-18-15-13(9-19-21(15)10-11)16(23)20-5-3-12(4-6-20)7-14(22)17-2/h8-10,12H,3-7H2,1-2H3,(H,17,22).
What are the key properties of N-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide?
N-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 315.38 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 92633814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).