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

C26H28N4O2 — CID 45254237

IUPAC4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-benzoylpiperazine-1-carboxamide
SMILESN[C@@H](c1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C26H28N4O2/c27-23(20-10-4-1-5-11-20)24(21-12-6-2-7-13-21)29-16-18-30(19-17-29)26(32)28-25(31)22-14-8-3-9-15-22/h1-15,23-24H,16-19,27H2,(H,28,31,32)/t23-,24+/m0/s1
InChIKeyLIFUNOCTVFWOGI-BJKOFHAPSA-N
MW428.54 g/mol
LogP3.60
Rot. Bonds5

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

4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-benzoylpiperazine-1-carboxamide (PubChem CID 45254237) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-benzoylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-benzoylpiperazine-1-carboxamide
PubChem CID45254237
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-benzoylpiperazine-1-carboxamide
SMILESN[C@@H](c1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C26H28N4O2/c27-23(20-10-4-1-5-11-20)24(21-12-6-2-7-13-21)29-16-18-30(19-17-29)26(32)28-25(31)22-14-8-3-9-15-22/h1-15,23-24H,16-19,27H2,(H,28,31,32)/t23-,24+/m0/s1
InChIKeyLIFUNOCTVFWOGI-BJKOFHAPSA-N
XLogP3.60
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 53346018
4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 53345696
1-[4-[(1R,2S)-2-amino-1,2-diphenylethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 53346023
4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-[(2,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 53345800
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119683429
4-(3-amino-2-methyl-3-phenylpropanoyl)-N-ethylpiperazine-1-carboxamide
CID 119695716
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119683428
N-benzoyl-1-oxa-4,10-dithia-7-azacyclododecane-7-carboxamide
CID 86096997
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 29263072
3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119898947
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 108871381

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-benzoylpiperazine-1-carboxamide?
The IUPAC name of 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-benzoylpiperazine-1-carboxamide (CID 45254237) is 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-benzoylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-benzoylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-benzoylpiperazine-1-carboxamide is N[C@@H](c1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)NC(=O)c2ccccc2)CC1.
What is the InChIKey of 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-benzoylpiperazine-1-carboxamide?
The InChIKey is LIFUNOCTVFWOGI-BJKOFHAPSA-N. The full InChI is InChI=1S/C26H28N4O2/c27-23(20-10-4-1-5-11-20)24(21-12-6-2-7-13-21)29-16-18-30(19-17-29)26(32)28-25(31)22-14-8-3-9-15-22/h1-15,23-24H,16-19,27H2,(H,28,31,32)/t23-,24+/m0/s1.
What are the key properties of 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-benzoylpiperazine-1-carboxamide?
4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-benzoylpiperazine-1-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-benzoylpiperazine-1-carboxamide is sourced from PubChem (CID 45254237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).