3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C21H30N4O2 — CID 119899019

About 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119899019) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
• PubChem CID: 119899019
• Molecular Formula: C21H30N4O2
• Molecular Weight: 370.50 g/mol
• Exact Mass: 370.24
• IUPAC Name: 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
• SMILES: CN1CCN(C(=O)Cc2cccc(NC(=O)C3C4CCC(C4)C3N)c2)CC1
• InChI: InChI=1S/C21H30N4O2/c1-24-7-9-25(10-8-24)18(26)12-14-3-2-4-17(11-14)23-21(27)19-15-5-6-16(13-15)20(19)22/h2-4,11,15-16,19-20H,5-10,12-13,22H2,1H3,(H,23,27)
• InChIKey: LYABMZMIRSVQOP-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 78.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.50
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?

The IUPAC name of 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119899019) is 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

What is the SMILES notation for 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?

The canonical SMILES for 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide is CN1CCN(C(=O)Cc2cccc(NC(=O)C3C4CCC(C4)C3N)c2)CC1.

What is the InChIKey of 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?

The InChIKey is LYABMZMIRSVQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-24-7-9-25(10-8-24)18(26)12-14-3-2-4-17(11-14)23-21(27)19-15-5-6-16(13-15)20(19)22/h2-4,11,15-16,19-20H,5-10,12-13,22H2,1H3,(H,23,27).

What are the key properties of 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?

3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119899019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).