4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzamide

C24H27N5O2 — CID 11742693

IUPAC4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzamide
SMILESNC(=O)c1ccc(C[C@H](N)C(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C24H27N5O2/c25-19(14-16-9-11-18(12-10-16)22(26)30)24(31)29-13-5-4-8-21(29)23-27-15-20(28-23)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19,21H,4-5,8,13-14,25H2,(H2,26,30)(H,27,28)/t19-,21-/m0/s1
InChIKeyYALMCURVZITNRZ-FPOVZHCZSA-N
MW417.51 g/mol
LogP2.80
Rot. Bonds6

About 4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzamide

4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzamide (PubChem CID 11742693) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzamide
PubChem CID11742693
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzamide
SMILESNC(=O)c1ccc(C[C@H](N)C(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C24H27N5O2/c25-19(14-16-9-11-18(12-10-16)22(26)30)24(31)29-13-5-4-8-21(29)23-27-15-20(28-23)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19,21H,4-5,8,13-14,25H2,(H2,26,30)(H,27,28)/t19-,21-/m0/s1
InChIKeyYALMCURVZITNRZ-FPOVZHCZSA-N
XLogP2.80
TPSA118.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzamide?
The IUPAC name of 4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzamide (CID 11742693) is 4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzamide?
The canonical SMILES for 4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzamide is NC(=O)c1ccc(C[C@H](N)C(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzamide?
The InChIKey is YALMCURVZITNRZ-FPOVZHCZSA-N. The full InChI is InChI=1S/C24H27N5O2/c25-19(14-16-9-11-18(12-10-16)22(26)30)24(31)29-13-5-4-8-21(29)23-27-15-20(28-23)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19,21H,4-5,8,13-14,25H2,(H2,26,30)(H,27,28)/t19-,21-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzamide?
4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzamide has a molecular weight of 417.51 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 11742693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).