2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide

C18H21Cl2N5O — CID 120643076

IUPAC2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)C1CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H21Cl2N5O/c1-25-18(22-16(24-25)10-2-4-21-5-3-10)23-17(26)15-9-14(15)11-6-12(19)8-13(20)7-11/h6-8,10,14-15,21H,2-5,9H2,1H3,(H,22,23,24,26)
InChIKeyXKYAMKIKTPNRAV-UHFFFAOYSA-N
MW394.31 g/mol
LogP3.33
Rot. Bonds4

About 2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide

2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 120643076) has the molecular formula C18H21Cl2N5O and a molecular weight of 394.31 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
PubChem CID120643076
Molecular FormulaC18H21Cl2N5O
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC Name2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)C1CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H21Cl2N5O/c1-25-18(22-16(24-25)10-2-4-21-5-3-10)23-17(26)15-9-14(15)11-6-12(19)8-13(20)7-11/h6-8,10,14-15,21H,2-5,9H2,1H3,(H,22,23,24,26)
InChIKeyXKYAMKIKTPNRAV-UHFFFAOYSA-N
XLogP3.33
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-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 2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide (CID 120643076) is 2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide is Cn1nc(C2CCNCC2)nc1NC(=O)C1CC1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is XKYAMKIKTPNRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N5O/c1-25-18(22-16(24-25)10-2-4-21-5-3-10)23-17(26)15-9-14(15)11-6-12(19)8-13(20)7-11/h6-8,10,14-15,21H,2-5,9H2,1H3,(H,22,23,24,26).
What are the key properties of 2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 394.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 120643076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).