N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide

C16H21N5O3 — CID 121165128

IUPACN-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(n3nccn3)CC2)c1OC
InChIInChI=1S/C16H21N5O3/c1-23-14-5-3-4-13(15(14)24-2)19-16(22)20-10-6-12(7-11-20)21-17-8-9-18-21/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,19,22)
InChIKeyRRYZESQUDIMMPQ-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.16
Rot. Bonds4

About N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide

N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide (PubChem CID 121165128) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
PubChem CID121165128
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(n3nccn3)CC2)c1OC
InChIInChI=1S/C16H21N5O3/c1-23-14-5-3-4-13(15(14)24-2)19-16(22)20-10-6-12(7-11-20)21-17-8-9-18-21/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,19,22)
InChIKeyRRYZESQUDIMMPQ-UHFFFAOYSA-N
XLogP2.16
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)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

N-(2,3-dimethoxyphenyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121178349
4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
CID 71799516
N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165118
N-(2,3-dimethoxyphenyl)-4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 171991175
4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121165130
N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 20506465
N-(2,3-dimethoxyphenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122335412
N-(2,3-dimethoxyphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122343981
1-N-(2,3-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
CID 90602146
3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
CID 122259565
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
N-(2-methoxyphenyl)-4-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 27869689

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide (CID 121165128) is N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCC(n3nccn3)CC2)c1OC.
What is the InChIKey of N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
The InChIKey is RRYZESQUDIMMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-23-14-5-3-4-13(15(14)24-2)19-16(22)20-10-6-12(7-11-20)21-17-8-9-18-21/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide?
N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 121165128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).