N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C20H29N5O2 — CID 124683395

IUPACN-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1nnn(C2CCNCC2)c1C
InChIInChI=1S/C20H29N5O2/c1-4-24(13-18(26)16-7-5-14(2)6-8-16)20(27)19-15(3)25(23-22-19)17-9-11-21-12-10-17/h5-8,17-18,21,26H,4,9-13H2,1-3H3/t18-/m0/s1
InChIKeyHJBLZDWHFXBHKH-SFHVURJKSA-N
MW371.49 g/mol
LogP2.02
Rot. Bonds6

About N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 124683395) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID124683395
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1nnn(C2CCNCC2)c1C
InChIInChI=1S/C20H29N5O2/c1-4-24(13-18(26)16-7-5-14(2)6-8-16)20(27)19-15(3)25(23-22-19)17-9-11-21-12-10-17/h5-8,17-18,21,26H,4,9-13H2,1-3H3/t18-/m0/s1
InChIKeyHJBLZDWHFXBHKH-SFHVURJKSA-N
XLogP2.02
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-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 N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 124683395) is N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1nnn(C2CCNCC2)c1C.
What is the InChIKey of N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is HJBLZDWHFXBHKH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-4-24(13-18(26)16-7-5-14(2)6-8-16)20(27)19-15(3)25(23-22-19)17-9-11-21-12-10-17/h5-8,17-18,21,26H,4,9-13H2,1-3H3/t18-/m0/s1.
What are the key properties of N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 124683395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).