N-[(1-benzylpiperidin-4-yl)methyl]-1-[(2-chlorophenyl)methyl]-N-methyltriazole-4-carboxamide

C24H28ClN5O — CID 42288352

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-1-[(2-chlorophenyl)methyl]-N-methyltriazole-4-carboxamide
SMILESCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1cn(Cc2ccccc2Cl)nn1
InChIInChI=1S/C24H28ClN5O/c1-28(15-20-11-13-29(14-12-20)16-19-7-3-2-4-8-19)24(31)23-18-30(27-26-23)17-21-9-5-6-10-22(21)25/h2-10,18,20H,11-17H2,1H3
InChIKeyMBOPFHPMFNFANK-UHFFFAOYSA-N
MW437.98 g/mol
LogP3.96
Rot. Bonds7

About N-[(1-benzylpiperidin-4-yl)methyl]-1-[(2-chlorophenyl)methyl]-N-methyltriazole-4-carboxamide

N-[(1-benzylpiperidin-4-yl)methyl]-1-[(2-chlorophenyl)methyl]-N-methyltriazole-4-carboxamide (PubChem CID 42288352) has the molecular formula C24H28ClN5O and a molecular weight of 437.98 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-1-[(2-chlorophenyl)methyl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-1-[(2-chlorophenyl)methyl]-N-methyltriazole-4-carboxamide
PubChem CID42288352
Molecular FormulaC24H28ClN5O
Molecular Weight437.98 g/mol
Exact Mass437.20
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-1-[(2-chlorophenyl)methyl]-N-methyltriazole-4-carboxamide
SMILESCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1cn(Cc2ccccc2Cl)nn1
InChIInChI=1S/C24H28ClN5O/c1-28(15-20-11-13-29(14-12-20)16-19-7-3-2-4-8-19)24(31)23-18-30(27-26-23)17-21-9-5-6-10-22(21)25/h2-10,18,20H,11-17H2,1H3
InChIKeyMBOPFHPMFNFANK-UHFFFAOYSA-N
XLogP3.96
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-1-[(2-chlorophenyl)methyl]-N-methyltriazole-4-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-1-[(2-chlorophenyl)methyl]-N-methyltriazole-4-carboxamide (CID 42288352) is N-[(1-benzylpiperidin-4-yl)methyl]-1-[(2-chlorophenyl)methyl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-1-[(2-chlorophenyl)methyl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-1-[(2-chlorophenyl)methyl]-N-methyltriazole-4-carboxamide is CN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1cn(Cc2ccccc2Cl)nn1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-1-[(2-chlorophenyl)methyl]-N-methyltriazole-4-carboxamide?
The InChIKey is MBOPFHPMFNFANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O/c1-28(15-20-11-13-29(14-12-20)16-19-7-3-2-4-8-19)24(31)23-18-30(27-26-23)17-21-9-5-6-10-22(21)25/h2-10,18,20H,11-17H2,1H3.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-1-[(2-chlorophenyl)methyl]-N-methyltriazole-4-carboxamide?
N-[(1-benzylpiperidin-4-yl)methyl]-1-[(2-chlorophenyl)methyl]-N-methyltriazole-4-carboxamide has a molecular weight of 437.98 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-1-[(2-chlorophenyl)methyl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 42288352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).