1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one

C25H33N3O — CID 97113843

IUPAC1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one
SMILESC[C@@H](CN1CC(c2ccccc2)(c2ccccc2)CCC1=O)N1CCN(C)CC1
InChIInChI=1S/C25H33N3O/c1-21(27-17-15-26(2)16-18-27)19-28-20-25(14-13-24(28)29,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,21H,13-20H2,1-2H3/t21-/m0/s1
InChIKeyZHIDYYBIVKVKDH-NRFANRHFSA-N
MW391.56 g/mol
LogP3.23
Rot. Bonds5

About 1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one

1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one (PubChem CID 97113843) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is 1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one
PubChem CID97113843
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC Name1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one
SMILESC[C@@H](CN1CC(c2ccccc2)(c2ccccc2)CCC1=O)N1CCN(C)CC1
InChIInChI=1S/C25H33N3O/c1-21(27-17-15-26(2)16-18-27)19-28-20-25(14-13-24(28)29,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,21H,13-20H2,1-2H3/t21-/m0/s1
InChIKeyZHIDYYBIVKVKDH-NRFANRHFSA-N
XLogP3.23
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one?
The IUPAC name of 1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one (CID 97113843) is 1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one.
What is the SMILES notation for 1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one?
The canonical SMILES for 1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one is C[C@@H](CN1CC(c2ccccc2)(c2ccccc2)CCC1=O)N1CCN(C)CC1.
What is the InChIKey of 1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one?
The InChIKey is ZHIDYYBIVKVKDH-NRFANRHFSA-N. The full InChI is InChI=1S/C25H33N3O/c1-21(27-17-15-26(2)16-18-27)19-28-20-25(14-13-24(28)29,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,21H,13-20H2,1-2H3/t21-/m0/s1.
What are the key properties of 1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one?
1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one has a molecular weight of 391.56 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one is sourced from PubChem (CID 97113843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).