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

C20H21N5O3 — CID 136516099

IUPACN-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
SMILESCn1nnc2cc(C(=O)N3CCC(C(=O)Nc4ccccc4O)CC3)ccc21
InChIInChI=1S/C20H21N5O3/c1-24-17-7-6-14(12-16(17)22-23-24)20(28)25-10-8-13(9-11-25)19(27)21-15-4-2-3-5-18(15)26/h2-7,12-13,26H,8-11H2,1H3,(H,21,27)
InChIKeyVMPBAOFDEQDAEH-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.16
Rot. Bonds3

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

N-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 136516099) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
PubChem CID136516099
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
SMILESCn1nnc2cc(C(=O)N3CCC(C(=O)Nc4ccccc4O)CC3)ccc21
InChIInChI=1S/C20H21N5O3/c1-24-17-7-6-14(12-16(17)22-23-24)20(28)25-10-8-13(9-11-25)19(27)21-15-4-2-3-5-18(15)26/h2-7,12-13,26H,8-11H2,1H3,(H,21,27)
InChIKeyVMPBAOFDEQDAEH-UHFFFAOYSA-N
XLogP2.16
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
CID 20932851
1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 20932872
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 96500738
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 20932878
1-(3-bromo-5-pyrrolidin-1-ylbenzoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 167853019
N-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
CID 20932899
1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
CID 9495612
methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate
CID 4785627
(3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 92633265
1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875
1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223612

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide (CID 136516099) is N-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide is Cn1nnc2cc(C(=O)N3CCC(C(=O)Nc4ccccc4O)CC3)ccc21.
What is the InChIKey of N-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is VMPBAOFDEQDAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-24-17-7-6-14(12-16(17)22-23-24)20(28)25-10-8-13(9-11-25)19(27)21-15-4-2-3-5-18(15)26/h2-7,12-13,26H,8-11H2,1H3,(H,21,27).
What are the key properties of N-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide?
N-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 136516099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).