4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide

C17H23N5O — CID 75390249

IUPAC4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(C)c2ccc(-n3ccnn3)cc2)CC1
InChIInChI=1S/C17H23N5O/c1-13-7-10-21(11-8-13)17(23)19-14(2)15-3-5-16(6-4-15)22-12-9-18-20-22/h3-6,9,12-14H,7-8,10-11H2,1-2H3,(H,19,23)
InChIKeyHVAQPVKXCBQWDL-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.77
Rot. Bonds3

About 4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide

4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide (PubChem CID 75390249) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
PubChem CID75390249
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(C)c2ccc(-n3ccnn3)cc2)CC1
InChIInChI=1S/C17H23N5O/c1-13-7-10-21(11-8-13)17(23)19-14(2)15-3-5-16(6-4-15)22-12-9-18-20-22/h3-6,9,12-14H,7-8,10-11H2,1-2H3,(H,19,23)
InChIKeyHVAQPVKXCBQWDL-UHFFFAOYSA-N
XLogP2.77
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide (CID 75390249) is 4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide is CC1CCN(C(=O)NC(C)c2ccc(-n3ccnn3)cc2)CC1.
What is the InChIKey of 4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide?
The InChIKey is HVAQPVKXCBQWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-7-10-21(11-8-13)17(23)19-14(2)15-3-5-16(6-4-15)22-12-9-18-20-22/h3-6,9,12-14H,7-8,10-11H2,1-2H3,(H,19,23).
What are the key properties of 4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide?
4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 75390249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).