N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide

C20H25F3N4O — CID 97278455

IUPACN-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide
SMILESCN(C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ncc[nH]1
InChIInChI=1S/C20H25F3N4O/c1-26(19(28)18-24-8-9-25-18)13-16-5-3-10-27(14-16)11-7-15-4-2-6-17(12-15)20(21,22)23/h2,4,6,8-9,12,16H,3,5,7,10-11,13-14H2,1H3,(H,24,25)/t16-/m0/s1
InChIKeyNKNJNPFNRMJKIU-INIZCTEOSA-N
MW394.44 g/mol
LogP3.46
Rot. Bonds6

About N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide

N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide (PubChem CID 97278455) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide
PubChem CID97278455
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC NameN-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide
SMILESCN(C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ncc[nH]1
InChIInChI=1S/C20H25F3N4O/c1-26(19(28)18-24-8-9-25-18)13-16-5-3-10-27(14-16)11-7-15-4-2-6-17(12-15)20(21,22)23/h2,4,6,8-9,12,16H,3,5,7,10-11,13-14H2,1H3,(H,24,25)/t16-/m0/s1
InChIKeyNKNJNPFNRMJKIU-INIZCTEOSA-N
XLogP3.46
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide
CID 45210227
2-chloro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 45194918
2-hydroxy-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 72913282
N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 42401637
2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 56718790
3-hydroxy-N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]propanamide
CID 97281757
N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]thiophene-3-carboxamide
CID 26335690
2,4-difluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide
CID 42593796
2-[methyl-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]amino]acetic acid
CID 97268510
2-(4-methoxyphenyl)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 45187969
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42594811
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine
CID 29022538

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide (CID 97278455) is N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide is CN(C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ncc[nH]1.
What is the InChIKey of N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide?
The InChIKey is NKNJNPFNRMJKIU-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25F3N4O/c1-26(19(28)18-24-8-9-25-18)13-16-5-3-10-27(14-16)11-7-15-4-2-6-17(12-15)20(21,22)23/h2,4,6,8-9,12,16H,3,5,7,10-11,13-14H2,1H3,(H,24,25)/t16-/m0/s1.
What are the key properties of N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide?
N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 97278455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).