2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide

C24H30N6O — CID 78807265

IUPAC2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C24H30N6O/c1-19(20-6-10-23(11-7-20)30-18-25-17-26-30)28(2)16-24(31)27-21-8-12-22(13-9-21)29-14-4-3-5-15-29/h6-13,17-19H,3-5,14-16H2,1-2H3,(H,27,31)
InChIKeyRSVNSCUWAOPJRC-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.89
Rot. Bonds7

About 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide

2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 78807265) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID78807265
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C24H30N6O/c1-19(20-6-10-23(11-7-20)30-18-25-17-26-30)28(2)16-24(31)27-21-8-12-22(13-9-21)29-14-4-3-5-15-29/h6-13,17-19H,3-5,14-16H2,1-2H3,(H,27,31)
InChIKeyRSVNSCUWAOPJRC-UHFFFAOYSA-N
XLogP3.89
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepan-1-yl)phenyl]-2-[methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 40792110
N-[4-(azepan-1-yl)phenyl]-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 40792112
N-[2,6-di(propan-2-yl)phenyl]-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 46823193
2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 46823144
1-(azetidin-1-yl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone
CID 56812053
N-(2-chloro-4,6-dimethylphenyl)-2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 27651283
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 9483561
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 98619331
2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 46405645
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
1-[(2R)-2-methylmorpholin-4-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone
CID 33092839
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 87014156

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide (CID 78807265) is 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide is CC(c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is RSVNSCUWAOPJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-19(20-6-10-23(11-7-20)30-18-25-17-26-30)28(2)16-24(31)27-21-8-12-22(13-9-21)29-14-4-3-5-15-29/h6-13,17-19H,3-5,14-16H2,1-2H3,(H,27,31).
What are the key properties of 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 418.55 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 78807265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).