4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide

C21H26N4O2 — CID 4040755

IUPAC4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide
SMILESNC(Cc1ccccc1)C(=O)N1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C21H26N4O2/c22-19(15-17-7-3-1-4-8-17)20(26)24-11-13-25(14-12-24)21(27)23-16-18-9-5-2-6-10-18/h1-10,19H,11-16,22H2,(H,23,27)
InChIKeyDFALKOFCLFMFIR-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.61
Rot. Bonds5

About 4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide

4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide (PubChem CID 4040755) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide
PubChem CID4040755
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide
SMILESNC(Cc1ccccc1)C(=O)N1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C21H26N4O2/c22-19(15-17-7-3-1-4-8-17)20(26)24-11-13-25(14-12-24)21(27)23-16-18-9-5-2-6-10-18/h1-10,19H,11-16,22H2,(H,23,27)
InChIKeyDFALKOFCLFMFIR-UHFFFAOYSA-N
XLogP1.61
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride
CID 119277565
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one
CID 61430391
2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 69184928
N-benzylazonane-1-carboxamide
CID 130689649
(2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one
CID 78984747
(2R)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 78984555
2-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843978
2-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843968
(2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one
CID 119887152
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119831562

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide (CID 4040755) is 4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide is NC(Cc1ccccc1)C(=O)N1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide?
The InChIKey is DFALKOFCLFMFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c22-19(15-17-7-3-1-4-8-17)20(26)24-11-13-25(14-12-24)21(27)23-16-18-9-5-2-6-10-18/h1-10,19H,11-16,22H2,(H,23,27).
What are the key properties of 4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide?
4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide is sourced from PubChem (CID 4040755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).