N-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide

C18H22N6O2 — CID 45203650

IUPACN-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide
SMILESCOCc1cn(CC2CCCN(C(=O)Nc3cccc(C#N)c3)C2)nn1
InChIInChI=1S/C18H22N6O2/c1-26-13-17-12-24(22-21-17)11-15-5-3-7-23(10-15)18(25)20-16-6-2-4-14(8-16)9-19/h2,4,6,8,12,15H,3,5,7,10-11,13H2,1H3,(H,20,25)
InChIKeyNFYMTCXJFIRYLX-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.24
Rot. Bonds5

About N-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide

N-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide (PubChem CID 45203650) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide
PubChem CID45203650
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide
SMILESCOCc1cn(CC2CCCN(C(=O)Nc3cccc(C#N)c3)C2)nn1
InChIInChI=1S/C18H22N6O2/c1-26-13-17-12-24(22-21-17)11-15-5-3-7-23(10-15)18(25)20-16-6-2-4-14(8-16)9-19/h2,4,6,8,12,15H,3,5,7,10-11,13H2,1H3,(H,20,25)
InChIKeyNFYMTCXJFIRYLX-UHFFFAOYSA-N
XLogP2.24
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-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

4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31126037
N-(3-cyanophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 56900491
1-[[(3S)-1-[(2-methoxyphenyl)carbamoyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95125167
1-[[(3R)-1-[(4-methylphenyl)carbamoyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95121607
1-[[1-[(4-methylphenyl)carbamoyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 50952503
3-[3-(methoxymethyl)piperidine-1-carbonyl]benzonitrile
CID 90504865
N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896286
(3R)-N-(3-cyanophenyl)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95267695
(3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
CID 95783482
(3S)-3-[(4-pyridin-4-yltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31042566
N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952404
N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95333968

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide (CID 45203650) is N-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide is COCc1cn(CC2CCCN(C(=O)Nc3cccc(C#N)c3)C2)nn1.
What is the InChIKey of N-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide?
The InChIKey is NFYMTCXJFIRYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-26-13-17-12-24(22-21-17)11-15-5-3-7-23(10-15)18(25)20-16-6-2-4-14(8-16)9-19/h2,4,6,8,12,15H,3,5,7,10-11,13H2,1H3,(H,20,25).
What are the key properties of N-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide?
N-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 45203650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).