1-(2-methylpropanoyl)-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide

C21H24N6O2 — CID 154794256

IUPAC1-(2-methylpropanoyl)-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2n[nH]c(-c3ccc4ccccc4n3)n2)CC1
InChIInChI=1S/C21H24N6O2/c1-13(2)20(29)27-11-9-15(10-12-27)19(28)24-21-23-18(25-26-21)17-8-7-14-5-3-4-6-16(14)22-17/h3-8,13,15H,9-12H2,1-2H3,(H2,23,24,25,26,28)
InChIKeyRVSFXFMVBJTHOR-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.85
Rot. Bonds4

About 1-(2-methylpropanoyl)-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide

1-(2-methylpropanoyl)-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide (PubChem CID 154794256) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
PubChem CID154794256
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-(2-methylpropanoyl)-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2n[nH]c(-c3ccc4ccccc4n3)n2)CC1
InChIInChI=1S/C21H24N6O2/c1-13(2)20(29)27-11-9-15(10-12-27)19(28)24-21-23-18(25-26-21)17-8-7-14-5-3-4-6-16(14)22-17/h3-8,13,15H,9-12H2,1-2H3,(H2,23,24,25,26,28)
InChIKeyRVSFXFMVBJTHOR-UHFFFAOYSA-N
XLogP2.85
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-methylpropanoyl)-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-acetyl-N-(5-naphthalen-1-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
CID 47558112
1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
CID 87035974
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
CID 51081301
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55849670
1-(2-methylpropanoyl)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 78889326
1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
CID 78927453
1-(2-methylpropanoyl)-N-(2-phenylpyrazol-3-yl)piperidine-4-carboxamide
CID 146091632
1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 31697184
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 92552858
N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31693337

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide (CID 154794256) is 1-(2-methylpropanoyl)-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)Nc2n[nH]c(-c3ccc4ccccc4n3)n2)CC1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The InChIKey is RVSFXFMVBJTHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-13(2)20(29)27-11-9-15(10-12-27)19(28)24-21-23-18(25-26-21)17-8-7-14-5-3-4-6-16(14)22-17/h3-8,13,15H,9-12H2,1-2H3,(H2,23,24,25,26,28).
What are the key properties of 1-(2-methylpropanoyl)-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
1-(2-methylpropanoyl)-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 154794256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).