N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide

C30H31N5O3 — CID 123862047

IUPACN-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide
SMILESCC1CCC(C(=O)NC(c2ccccc2)C(O)c2ccccc2)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C30H31N5O3/c1-21-16-17-24(20-34(21)30(38)25-14-8-9-15-26(25)35-31-18-19-32-35)29(37)33-27(22-10-4-2-5-11-22)28(36)23-12-6-3-7-13-23/h2-15,18-19,21,24,27-28,36H,16-17,20H2,1H3,(H,33,37)
InChIKeyWQLMDLUHZCAZAA-UHFFFAOYSA-N
MW509.61 g/mol
LogP4.10
Rot. Bonds7

About N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide

N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide (PubChem CID 123862047) has the molecular formula C30H31N5O3 and a molecular weight of 509.61 g/mol. Its IUPAC name is N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide
PubChem CID123862047
Molecular FormulaC30H31N5O3
Molecular Weight509.61 g/mol
Exact Mass509.24
IUPAC NameN-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide
SMILESCC1CCC(C(=O)NC(c2ccccc2)C(O)c2ccccc2)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C30H31N5O3/c1-21-16-17-24(20-34(21)30(38)25-14-8-9-15-26(25)35-31-18-19-32-35)29(37)33-27(22-10-4-2-5-11-22)28(36)23-12-6-3-7-13-23/h2-15,18-19,21,24,27-28,36H,16-17,20H2,1H3,(H,33,37)
InChIKeyWQLMDLUHZCAZAA-UHFFFAOYSA-N
XLogP4.10
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R,6R)-1-[4-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 86729685
cyclopropyl-[3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 121315954
[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)tetrazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 121314107
(Z)-3-bromo-2-methyl-3-[1-[(6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]ethenoxy]prop-2-enamide
CID 144789218
[5-[4-(1-hydroxyethyl)-5-phenyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123669680
[(2R,5R)-2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 121314646
1-[(6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]pyrazole-4-carbaldehyde
CID 145074287
ethane;methyl (2Z)-2-amino-2-[amino-[(6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]hydrazinylidene]acetate
CID 145074285
[5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123930986
methyl 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 123392683
methyl 4-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 90241857
[(2R,5R)-5-[[3-[(1S)-1-hydroxypropyl]-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 87055212

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide (CID 123862047) is N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide is CC1CCC(C(=O)NC(c2ccccc2)C(O)c2ccccc2)CN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide?
The InChIKey is WQLMDLUHZCAZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O3/c1-21-16-17-24(20-34(21)30(38)25-14-8-9-15-26(25)35-31-18-19-32-35)29(37)33-27(22-10-4-2-5-11-22)28(36)23-12-6-3-7-13-23/h2-15,18-19,21,24,27-28,36H,16-17,20H2,1H3,(H,33,37).
What are the key properties of N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide?
N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1,2-diphenylethyl)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 123862047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).