N-[(2R)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]methanesulfonamide

C24H34FN5O3S — CID 10323349

About N-[(2R)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]methanesulfonamide

N-[(2R)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 10323349) has the molecular formula C24H34FN5O3S and a molecular weight of 491.63 g/mol. Its IUPAC name is N-[(2R)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]methanesulfonamide
• PubChem CID: 10323349
• Molecular Formula: C24H34FN5O3S
• Molecular Weight: 491.63 g/mol
• Exact Mass: 491.24
• IUPAC Name: N-[(2R)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]methanesulfonamide
• SMILES: CS(=O)(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1
• InChI: InChI=1S/C24H34FN5O3S/c1-34(32,33)28-22(15-19-7-9-21(25)10-8-19)23(31)29-13-11-24(12-14-29,16-30-18-26-17-27-30)20-5-3-2-4-6-20/h7-10,17-18,20,22,28H,2-6,11-16H2,1H3/t22-/m1/s1
• InChIKey: AYNQWXQQQPFHLB-JOCHJYFZSA-N
• XLogP: 2.77
• TPSA: 97.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.63
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]methanesulfonamide?

The IUPAC name of N-[(2R)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]methanesulfonamide (CID 10323349) is N-[(2R)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]methanesulfonamide.

What is the SMILES notation for N-[(2R)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]methanesulfonamide?

The canonical SMILES for N-[(2R)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]methanesulfonamide is CS(=O)(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1.

What is the InChIKey of N-[(2R)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]methanesulfonamide?

The InChIKey is AYNQWXQQQPFHLB-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H34FN5O3S/c1-34(32,33)28-22(15-19-7-9-21(25)10-8-19)23(31)29-13-11-24(12-14-29,16-30-18-26-17-27-30)20-5-3-2-4-6-20/h7-10,17-18,20,22,28H,2-6,11-16H2,1H3/t22-/m1/s1.

What are the key properties of N-[(2R)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]methanesulfonamide?

N-[(2R)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 491.63 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 10323349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).