N-[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]benzamide

C23H25N5O3 — CID 71596300

IUPACN-[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]benzamide
SMILESCOc1cccc(-n2nnc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)c2C)c1
InChIInChI=1S/C23H25N5O3/c1-16-21(25-26-28(16)19-9-6-10-20(15-19)31-2)23(30)27-13-11-18(12-14-27)24-22(29)17-7-4-3-5-8-17/h3-10,15,18H,11-14H2,1-2H3,(H,24,29)
InChIKeyYKGFVRSYPKKKHD-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.62
Rot. Bonds5

About N-[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]benzamide

N-[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]benzamide (PubChem CID 71596300) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]benzamide
PubChem CID71596300
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]benzamide
SMILESCOc1cccc(-n2nnc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)c2C)c1
InChIInChI=1S/C23H25N5O3/c1-16-21(25-26-28(16)19-9-6-10-20(15-19)31-2)23(30)27-13-11-18(12-14-27)24-22(29)17-7-4-3-5-8-17/h3-10,15,18H,11-14H2,1-2H3,(H,24,29)
InChIKeyYKGFVRSYPKKKHD-UHFFFAOYSA-N
XLogP2.62
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]benzamide 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-[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]benzamide (CID 71596300) is N-[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]benzamide is COc1cccc(-n2nnc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)c2C)c1.
What is the InChIKey of N-[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]benzamide?
The InChIKey is YKGFVRSYPKKKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-16-21(25-26-28(16)19-9-6-10-20(15-19)31-2)23(30)27-13-11-18(12-14-27)24-22(29)17-7-4-3-5-8-17/h3-10,15,18H,11-14H2,1-2H3,(H,24,29).
What are the key properties of N-[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]benzamide?
N-[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]benzamide has a molecular weight of 419.49 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 71596300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).