N-(4-fluorophenyl)-2-[(3R,6S)-6-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]acetamide

C24H26FN5O2 — CID 46189316

IUPACN-(4-fluorophenyl)-2-[(3R,6S)-6-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]acetamide
SMILESCc1ccc(-n2nccn2)c(C(=O)N2C[C@@H](CC(=O)Nc3ccc(F)cc3)CC[C@@H]2C)c1
InChIInChI=1S/C24H26FN5O2/c1-16-3-10-22(30-26-11-12-27-30)21(13-16)24(32)29-15-18(5-4-17(29)2)14-23(31)28-20-8-6-19(25)7-9-20/h3,6-13,17-18H,4-5,14-15H2,1-2H3,(H,28,31)/t17-,18+/m0/s1
InChIKeyWAJIZEVAZABUIF-ZWKOTPCHSA-N
MW435.50 g/mol
LogP3.98
Rot. Bonds5

About N-(4-fluorophenyl)-2-[(3R,6S)-6-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]acetamide

N-(4-fluorophenyl)-2-[(3R,6S)-6-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]acetamide (PubChem CID 46189316) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(3R,6S)-6-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(3R,6S)-6-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]acetamide
PubChem CID46189316
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC NameN-(4-fluorophenyl)-2-[(3R,6S)-6-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]acetamide
SMILESCc1ccc(-n2nccn2)c(C(=O)N2C[C@@H](CC(=O)Nc3ccc(F)cc3)CC[C@@H]2C)c1
InChIInChI=1S/C24H26FN5O2/c1-16-3-10-22(30-26-11-12-27-30)21(13-16)24(32)29-15-18(5-4-17(29)2)14-23(31)28-20-8-6-19(25)7-9-20/h3,6-13,17-18H,4-5,14-15H2,1-2H3,(H,28,31)/t17-,18+/m0/s1
InChIKeyWAJIZEVAZABUIF-ZWKOTPCHSA-N
XLogP3.98
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(3R,6S)-6-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(3R,6S)-6-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]acetamide (CID 46189316) is N-(4-fluorophenyl)-2-[(3R,6S)-6-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(3R,6S)-6-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(3R,6S)-6-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]acetamide is Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H](CC(=O)Nc3ccc(F)cc3)CC[C@@H]2C)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(3R,6S)-6-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]acetamide?
The InChIKey is WAJIZEVAZABUIF-ZWKOTPCHSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-16-3-10-22(30-26-11-12-27-30)21(13-16)24(32)29-15-18(5-4-17(29)2)14-23(31)28-20-8-6-19(25)7-9-20/h3,6-13,17-18H,4-5,14-15H2,1-2H3,(H,28,31)/t17-,18+/m0/s1.
What are the key properties of N-(4-fluorophenyl)-2-[(3R,6S)-6-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]acetamide?
N-(4-fluorophenyl)-2-[(3R,6S)-6-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]acetamide has a molecular weight of 435.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(3R,6S)-6-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 46189316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).