N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide

C22H25N5O2 — CID 20932851

IUPACN-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc3c(c2)nnn3C)CC1
InChIInChI=1S/C22H25N5O2/c1-3-15-6-4-5-7-18(15)23-21(28)16-10-12-27(13-11-16)22(29)17-8-9-20-19(14-17)24-25-26(20)2/h4-9,14,16H,3,10-13H2,1-2H3,(H,23,28)
InChIKeyMICCFTVEABIQAY-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.02
Rot. Bonds4

About N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide

N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 20932851) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
PubChem CID20932851
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc3c(c2)nnn3C)CC1
InChIInChI=1S/C22H25N5O2/c1-3-15-6-4-5-7-18(15)23-21(28)16-10-12-27(13-11-16)22(29)17-8-9-20-19(14-17)24-25-26(20)2/h4-9,14,16H,3,10-13H2,1-2H3,(H,23,28)
InChIKeyMICCFTVEABIQAY-UHFFFAOYSA-N
XLogP3.02
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
CID 136516099
1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 20932872
1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006609
1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606
2-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022419
1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119440143
N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide
CID 136532075
1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 20932878
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974914
N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051719
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 96500738

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide (CID 20932851) is N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide is CCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc3c(c2)nnn3C)CC1.
What is the InChIKey of N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is MICCFTVEABIQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-3-15-6-4-5-7-18(15)23-21(28)16-10-12-27(13-11-16)22(29)17-8-9-20-19(14-17)24-25-26(20)2/h4-9,14,16H,3,10-13H2,1-2H3,(H,23,28).
What are the key properties of N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide?
N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 20932851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).