2-[4-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-1-(4-hydroxypiperidin-1-yl)ethanone

C24H35N5O2 — CID 118758478

IUPAC2-[4-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESCc1c(CNC2CCN(c3ccc(CC(=O)N4CCC(O)CC4)cc3)CC2)cnn1C
InChIInChI=1S/C24H35N5O2/c1-18-20(17-26-27(18)2)16-25-21-7-11-28(12-8-21)22-5-3-19(4-6-22)15-24(31)29-13-9-23(30)10-14-29/h3-6,17,21,23,25,30H,7-16H2,1-2H3
InChIKeyVFIZPKLJSWFJNG-UHFFFAOYSA-N
MW425.58 g/mol
LogP2.01
Rot. Bonds6

About 2-[4-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-1-(4-hydroxypiperidin-1-yl)ethanone

2-[4-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 118758478) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 2-[4-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-1-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID118758478
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name2-[4-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESCc1c(CNC2CCN(c3ccc(CC(=O)N4CCC(O)CC4)cc3)CC2)cnn1C
InChIInChI=1S/C24H35N5O2/c1-18-20(17-26-27(18)2)16-25-21-7-11-28(12-8-21)22-5-3-19(4-6-22)15-24(31)29-13-9-23(30)10-14-29/h3-6,17,21,23,25,30H,7-16H2,1-2H3
InChIKeyVFIZPKLJSWFJNG-UHFFFAOYSA-N
XLogP2.01
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-1-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-1-(4-hydroxypiperidin-1-yl)ethanone (CID 118758478) is 2-[4-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-1-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-1-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-1-(4-hydroxypiperidin-1-yl)ethanone is Cc1c(CNC2CCN(c3ccc(CC(=O)N4CCC(O)CC4)cc3)CC2)cnn1C.
What is the InChIKey of 2-[4-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-1-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is VFIZPKLJSWFJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-18-20(17-26-27(18)2)16-25-21-7-11-28(12-8-21)22-5-3-19(4-6-22)15-24(31)29-13-9-23(30)10-14-29/h3-6,17,21,23,25,30H,7-16H2,1-2H3.
What are the key properties of 2-[4-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-1-(4-hydroxypiperidin-1-yl)ethanone?
2-[4-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 425.58 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-1-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 118758478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).