N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide

C19H26N6O2 — CID 136549708

IUPACN-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)N2CCC(Cn3cnnc3)CC2)c1
InChIInChI=1S/C19H26N6O2/c1-3-20-18(26)16-5-4-14(2)17(10-16)23-19(27)25-8-6-15(7-9-25)11-24-12-21-22-13-24/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3,(H,20,26)(H,23,27)
InChIKeyMZSREGGIPTXWOJ-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.28
Rot. Bonds5

About N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide

N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 136549708) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide
PubChem CID136549708
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)N2CCC(Cn3cnnc3)CC2)c1
InChIInChI=1S/C19H26N6O2/c1-3-20-18(26)16-5-4-14(2)17(10-16)23-19(27)25-8-6-15(7-9-25)11-24-12-21-22-13-24/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3,(H,20,26)(H,23,27)
InChIKeyMZSREGGIPTXWOJ-UHFFFAOYSA-N
XLogP2.28
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide
CID 55741599
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 60867288
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide
CID 51081890
N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide
CID 92731340
4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91903569
N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55782726
3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 86994889
4-(azepan-1-ylmethyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-1-carboxamide
CID 47041657
2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941507
4-(azepan-1-ylmethyl)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]piperidine-1-carboxamide
CID 47041694

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide (CID 136549708) is N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide is CCNC(=O)c1ccc(C)c(NC(=O)N2CCC(Cn3cnnc3)CC2)c1.
What is the InChIKey of N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is MZSREGGIPTXWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-3-20-18(26)16-5-4-14(2)17(10-16)23-19(27)25-8-6-15(7-9-25)11-24-12-21-22-13-24/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3,(H,20,26)(H,23,27).
What are the key properties of N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide?
N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 136549708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).