4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide

C22H28N4O — CID 53346018

IUPAC4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN([C@H](c2ccccc2)[C@@H](N)c2ccccc2)CC1
InChIInChI=1S/C22H28N4O/c1-2-13-24-22(27)26-16-14-25(15-17-26)21(19-11-7-4-8-12-19)20(23)18-9-5-3-6-10-18/h2-12,20-21H,1,13-17,23H2,(H,24,27)/t20-,21+/m0/s1
InChIKeyGSQXIHWVOMCHIN-LEWJYISDSA-N
MW364.49 g/mol
LogP2.94
Rot. Bonds6

About 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide

4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide (PubChem CID 53346018) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide
PubChem CID53346018
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN([C@H](c2ccccc2)[C@@H](N)c2ccccc2)CC1
InChIInChI=1S/C22H28N4O/c1-2-13-24-22(27)26-16-14-25(15-17-26)21(19-11-7-4-8-12-19)20(23)18-9-5-3-6-10-18/h2-12,20-21H,1,13-17,23H2,(H,24,27)/t20-,21+/m0/s1
InChIKeyGSQXIHWVOMCHIN-LEWJYISDSA-N
XLogP2.94
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide (CID 53346018) is 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide is C=CCNC(=O)N1CCN([C@H](c2ccccc2)[C@@H](N)c2ccccc2)CC1.
What is the InChIKey of 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is GSQXIHWVOMCHIN-LEWJYISDSA-N. The full InChI is InChI=1S/C22H28N4O/c1-2-13-24-22(27)26-16-14-25(15-17-26)21(19-11-7-4-8-12-19)20(23)18-9-5-3-6-10-18/h2-12,20-21H,1,13-17,23H2,(H,24,27)/t20-,21+/m0/s1.
What are the key properties of 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide?
4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 53346018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).