1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide

C20H21N5O2 — CID 20932872

IUPAC1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide
SMILESCn1nnc2cc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)ccc21
InChIInChI=1S/C20H21N5O2/c1-24-18-8-7-15(13-17(18)22-23-24)20(27)25-11-9-14(10-12-25)19(26)21-16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,21,26)
InChIKeyABWLBWCMZSXSEF-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.46
Rot. Bonds3

About 1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide

1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide (PubChem CID 20932872) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide
PubChem CID20932872
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide
SMILESCn1nnc2cc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)ccc21
InChIInChI=1S/C20H21N5O2/c1-24-18-8-7-15(13-17(18)22-23-24)20(27)25-11-9-14(10-12-25)19(26)21-16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,21,26)
InChIKeyABWLBWCMZSXSEF-UHFFFAOYSA-N
XLogP2.46
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.46
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
N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
CID 20932851
1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 20932878
N-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
CID 20932899
N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide
CID 136532075
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 41263290
1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 56545504
1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55397881
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide (CID 20932872) is 1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide is Cn1nnc2cc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)ccc21.
What is the InChIKey of 1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is ABWLBWCMZSXSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24-18-8-7-15(13-17(18)22-23-24)20(27)25-11-9-14(10-12-25)19(26)21-16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,21,26).
What are the key properties of 1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide?
1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 20932872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).