N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride

C21H31Cl2N5O2 — CID 154894158

About N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride (PubChem CID 154894158) has the molecular formula C21H31Cl2N5O2 and a molecular weight of 456.42 g/mol. Its IUPAC name is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
• PubChem CID: 154894158
• Molecular Formula: C21H31Cl2N5O2
• Molecular Weight: 456.42 g/mol
• Exact Mass: 455.19
• IUPAC Name: N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
• SMILES: CN1CCC(Oc2ccc(NC(=O)CCc3cc4n(n3)CCNC4)cc2)CC1.Cl.Cl
• InChI: InChI=1S/C21H29N5O2.2ClH/c1-25-11-8-20(9-12-25)28-19-5-2-16(3-6-19)23-21(27)7-4-17-14-18-15-22-10-13-26(18)24-17;;/h2-3,5-6,14,20,22H,4,7-13,15H2,1H3,(H,23,27);2*1H
• InChIKey: PKJPAOUBKRVSPV-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 71.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.42
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride?

The IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride (CID 154894158) is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride.

What is the SMILES notation for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride?

The canonical SMILES for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride is CN1CCC(Oc2ccc(NC(=O)CCc3cc4n(n3)CCNC4)cc2)CC1.Cl.Cl.

What is the InChIKey of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride?

The InChIKey is PKJPAOUBKRVSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2.2ClH/c1-25-11-8-20(9-12-25)28-19-5-2-16(3-6-19)23-21(27)7-4-17-14-18-15-22-10-13-26(18)24-17;;/h2-3,5-6,14,20,22H,4,7-13,15H2,1H3,(H,23,27);2*1H.

What are the key properties of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride?

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride has a molecular weight of 456.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride is sourced from PubChem (CID 154894158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).