N,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide

C18H22F3N5O — CID 172881133

IUPACN,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide
SMILESCN(CC1CCN(c2cc(C(F)(F)F)ccn2)CC1)C(=O)c1cn(C)cn1
InChIInChI=1S/C18H22F3N5O/c1-24-11-15(23-12-24)17(27)25(2)10-13-4-7-26(8-5-13)16-9-14(3-6-22-16)18(19,20)21/h3,6,9,11-13H,4-5,7-8,10H2,1-2H3
InChIKeyABEZWXPHSLKHFI-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.82
Rot. Bonds4

About N,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide

N,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide (PubChem CID 172881133) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is N,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide
PubChem CID172881133
Molecular FormulaC18H22F3N5O
Molecular Weight381.40 g/mol
Exact Mass381.18
IUPAC NameN,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide
SMILESCN(CC1CCN(c2cc(C(F)(F)F)ccn2)CC1)C(=O)c1cn(C)cn1
InChIInChI=1S/C18H22F3N5O/c1-24-11-15(23-12-24)17(27)25(2)10-13-4-7-26(8-5-13)16-9-14(3-6-22-16)18(19,20)21/h3,6,9,11-13H,4-5,7-8,10H2,1-2H3
InChIKeyABEZWXPHSLKHFI-UHFFFAOYSA-N
XLogP2.82
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-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,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide (CID 172881133) is N,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide is CN(CC1CCN(c2cc(C(F)(F)F)ccn2)CC1)C(=O)c1cn(C)cn1.
What is the InChIKey of N,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide?
The InChIKey is ABEZWXPHSLKHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O/c1-24-11-15(23-12-24)17(27)25(2)10-13-4-7-26(8-5-13)16-9-14(3-6-22-16)18(19,20)21/h3,6,9,11-13H,4-5,7-8,10H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide?
N,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 172881133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).