N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide

C22H34N4O — CID 126426034

About N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide

N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (PubChem CID 126426034) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
• PubChem CID: 126426034
• Molecular Formula: C22H34N4O
• Molecular Weight: 370.54 g/mol
• Exact Mass: 370.27
• IUPAC Name: N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
• SMILES: CN1CCCC[C@@H]1CCNC(=O)N1CCN(C/C=C/c2ccccc2)CC1
• InChI: InChI=1S/C22H34N4O/c1-24-14-6-5-11-21(24)12-13-23-22(27)26-18-16-25(17-19-26)15-7-10-20-8-3-2-4-9-20/h2-4,7-10,21H,5-6,11-19H2,1H3,(H,23,27)/b10-7+/t21-/m1/s1
• InChIKey: VHDNMOGYEZOXPF-TYOLEZHBSA-N
• XLogP: 2.90
• TPSA: 38.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.54
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?

The IUPAC name of N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (CID 126426034) is N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.

What is the SMILES notation for N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?

The canonical SMILES for N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is CN1CCCC[C@@H]1CCNC(=O)N1CCN(C/C=C/c2ccccc2)CC1.

What is the InChIKey of N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?

The InChIKey is VHDNMOGYEZOXPF-TYOLEZHBSA-N. The full InChI is InChI=1S/C22H34N4O/c1-24-14-6-5-11-21(24)12-13-23-22(27)26-18-16-25(17-19-26)15-7-10-20-8-3-2-4-9-20/h2-4,7-10,21H,5-6,11-19H2,1H3,(H,23,27)/b10-7+/t21-/m1/s1.

What are the key properties of N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?

N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is sourced from PubChem (CID 126426034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).