4-[(1R)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylpropyl]-1-methylsulfonylpiperidine

C26H41N5O2S — CID 11634516

IUPAC4-[(1R)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylpropyl]-1-methylsulfonylpiperidine
SMILESCc1nnc(C(C)C)n1C1CCN(CC[C@@H](c2ccccc2)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C26H41N5O2S/c1-20(2)26-28-27-21(3)31(26)24-12-15-29(16-13-24)17-14-25(22-8-6-5-7-9-22)23-10-18-30(19-11-23)34(4,32)33/h5-9,20,23-25H,10-19H2,1-4H3/t25-/m0/s1
InChIKeyFVCCKKOVLOZNDZ-VWLOTQADSA-N
MW487.71 g/mol
LogP4.19
Rot. Bonds8

About 4-[(1R)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylpropyl]-1-methylsulfonylpiperidine

4-[(1R)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylpropyl]-1-methylsulfonylpiperidine (PubChem CID 11634516) has the molecular formula C26H41N5O2S and a molecular weight of 487.71 g/mol. Its IUPAC name is 4-[(1R)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylpropyl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-[(1R)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylpropyl]-1-methylsulfonylpiperidine
PubChem CID11634516
Molecular FormulaC26H41N5O2S
Molecular Weight487.71 g/mol
Exact Mass487.30
IUPAC Name4-[(1R)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylpropyl]-1-methylsulfonylpiperidine
SMILESCc1nnc(C(C)C)n1C1CCN(CC[C@@H](c2ccccc2)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C26H41N5O2S/c1-20(2)26-28-27-21(3)31(26)24-12-15-29(16-13-24)17-14-25(22-8-6-5-7-9-22)23-10-18-30(19-11-23)34(4,32)33/h5-9,20,23-25H,10-19H2,1-4H3/t25-/m0/s1
InChIKeyFVCCKKOVLOZNDZ-VWLOTQADSA-N
XLogP4.19
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.71
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(1R)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylpropyl]-1-methylsulfonylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylpropyl]-1-methylsulfonylpiperidine?
The IUPAC name of 4-[(1R)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylpropyl]-1-methylsulfonylpiperidine (CID 11634516) is 4-[(1R)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylpropyl]-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-[(1R)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylpropyl]-1-methylsulfonylpiperidine?
The canonical SMILES for 4-[(1R)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylpropyl]-1-methylsulfonylpiperidine is Cc1nnc(C(C)C)n1C1CCN(CC[C@@H](c2ccccc2)C2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of 4-[(1R)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylpropyl]-1-methylsulfonylpiperidine?
The InChIKey is FVCCKKOVLOZNDZ-VWLOTQADSA-N. The full InChI is InChI=1S/C26H41N5O2S/c1-20(2)26-28-27-21(3)31(26)24-12-15-29(16-13-24)17-14-25(22-8-6-5-7-9-22)23-10-18-30(19-11-23)34(4,32)33/h5-9,20,23-25H,10-19H2,1-4H3/t25-/m0/s1.
What are the key properties of 4-[(1R)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylpropyl]-1-methylsulfonylpiperidine?
4-[(1R)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylpropyl]-1-methylsulfonylpiperidine has a molecular weight of 487.71 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylpropyl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 11634516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).