N-(3-chlorophenyl)-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide

C18H17ClFN5O — CID 1469797

IUPACN-(3-chlorophenyl)-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C18H17ClFN5O/c19-12-2-1-3-14(10-12)21-18(26)24-8-6-15(7-9-24)25-17-5-4-13(20)11-16(17)22-23-25/h1-5,10-11,15H,6-9H2,(H,21,26)
InChIKeyGJJJCBSTSLZXQV-UHFFFAOYSA-N
MW373.82 g/mol
LogP4.09
Rot. Bonds2

About N-(3-chlorophenyl)-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide

N-(3-chlorophenyl)-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide (PubChem CID 1469797) has the molecular formula C18H17ClFN5O and a molecular weight of 373.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide
PubChem CID1469797
Molecular FormulaC18H17ClFN5O
Molecular Weight373.82 g/mol
Exact Mass373.11
IUPAC NameN-(3-chlorophenyl)-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C18H17ClFN5O/c19-12-2-1-3-14(10-12)21-18(26)24-8-6-15(7-9-24)25-17-5-4-13(20)11-16(17)22-23-25/h1-5,10-11,15H,6-9H2,(H,21,26)
InChIKeyGJJJCBSTSLZXQV-UHFFFAOYSA-N
XLogP4.09
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-4-(5-fluorobenzotriazol-1-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

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide (CID 1469797) is N-(3-chlorophenyl)-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCC(n2nnc3cc(F)ccc32)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide?
The InChIKey is GJJJCBSTSLZXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5O/c19-12-2-1-3-14(10-12)21-18(26)24-8-6-15(7-9-24)25-17-5-4-13(20)11-16(17)22-23-25/h1-5,10-11,15H,6-9H2,(H,21,26).
What are the key properties of N-(3-chlorophenyl)-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide?
N-(3-chlorophenyl)-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide has a molecular weight of 373.82 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(5-fluorobenzotriazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 1469797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).