N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide

C20H28N6O — CID 126446453

About N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide

N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide (PubChem CID 126446453) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
• PubChem CID: 126446453
• Molecular Formula: C20H28N6O
• Molecular Weight: 368.49 g/mol
• Exact Mass: 368.23
• IUPAC Name: N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
• SMILES: Cc1nc(CCNC(=O)Cn2nccc2[C@H]2CCCNC2)nc2c1CCC2
• InChI: InChI=1S/C20H28N6O/c1-14-16-5-2-6-17(16)25-19(24-14)8-10-22-20(27)13-26-18(7-11-23-26)15-4-3-9-21-12-15/h7,11,15,21H,2-6,8-10,12-13H2,1H3,(H,22,27)/t15-/m0/s1
• InChIKey: JTBVNROPYBWUON-HNNXBMFYSA-N
• XLogP: 1.30
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.49
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?

The IUPAC name of 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) is N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide.

What is the SMILES notation for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?

The canonical SMILES for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide is Cc1nc(CCNC(=O)Cn2nccc2[C@H]2CCCNC2)nc2c1CCC2.

What is the InChIKey of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?

The InChIKey is JTBVNROPYBWUON-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-14-16-5-2-6-17(16)25-19(24-14)8-10-22-20(27)13-26-18(7-11-23-26)15-4-3-9-21-12-15/h7,11,15,21H,2-6,8-10,12-13H2,1H3,(H,22,27)/t15-/m0/s1.

What are the key properties of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?

N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 368.49 g/mol, XLogP of 1.30, 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-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 126446453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).