N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide

C19H19N5O2 — CID 122137918

IUPACN-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)Nc2ccc3n[nH]nc3c2)C1c1ccccc1
InChIInChI=1S/C19H19N5O2/c1-24-17(25)10-8-14(18(24)12-5-3-2-4-6-12)19(26)20-13-7-9-15-16(11-13)22-23-21-15/h2-7,9,11,14,18H,8,10H2,1H3,(H,20,26)(H,21,22,23)
InChIKeyJIAUIAGKHJXADV-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.51
Rot. Bonds3

About N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide

N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 122137918) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID122137918
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)Nc2ccc3n[nH]nc3c2)C1c1ccccc1
InChIInChI=1S/C19H19N5O2/c1-24-17(25)10-8-14(18(24)12-5-3-2-4-6-12)19(26)20-13-7-9-15-16(11-13)22-23-21-15/h2-7,9,11,14,18H,8,10H2,1H3,(H,20,26)(H,21,22,23)
InChIKeyJIAUIAGKHJXADV-UHFFFAOYSA-N
XLogP2.51
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651157
(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29132160
N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651543
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 97457685
methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
CID 29138864
ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate
CID 42652876
(2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29131437
propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
CID 29135302
2-(2H-benzotriazol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974751
(2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 124606712
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801
(2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29132676

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide (CID 122137918) is N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide is CN1C(=O)CCC(C(=O)Nc2ccc3n[nH]nc3c2)C1c1ccccc1.
What is the InChIKey of N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is JIAUIAGKHJXADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-24-17(25)10-8-14(18(24)12-5-3-2-4-6-12)19(26)20-13-7-9-15-16(11-13)22-23-21-15/h2-7,9,11,14,18H,8,10H2,1H3,(H,20,26)(H,21,22,23).
What are the key properties of N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 122137918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).