N-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide

C23H31F3N4O — CID 42342350

IUPACN-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide
SMILESCN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCc1cnn(C)c1
InChIInChI=1S/C23H31F3N4O/c1-28(22(31)7-6-20-15-27-29(2)17-20)16-19-9-12-30(13-10-19)11-8-18-4-3-5-21(14-18)23(24,25)26/h3-5,14-15,17,19H,6-13,16H2,1-2H3
InChIKeyIXGOJILJXUFOCB-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.78
Rot. Bonds8

About N-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide

N-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide (PubChem CID 42342350) has the molecular formula C23H31F3N4O and a molecular weight of 436.52 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide
PubChem CID42342350
Molecular FormulaC23H31F3N4O
Molecular Weight436.52 g/mol
Exact Mass436.24
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide
SMILESCN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCc1cnn(C)c1
InChIInChI=1S/C23H31F3N4O/c1-28(22(31)7-6-20-15-27-29(2)17-20)16-19-9-12-30(13-10-19)11-8-18-4-3-5-21(14-18)23(24,25)26/h3-5,14-15,17,19H,6-13,16H2,1-2H3
InChIKeyIXGOJILJXUFOCB-UHFFFAOYSA-N
XLogP3.78
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide
CID 25455152
N-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide
CID 42346526
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42594811
3-hydroxy-N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]propanamide
CID 97281757
2-hydroxy-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 72913282
(2S)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 97277487
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154899870
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 29152552
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine
CID 29022538
2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 56718790
3-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71916473
3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63234884

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide (CID 42342350) is N-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide is CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCc1cnn(C)c1.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide?
The InChIKey is IXGOJILJXUFOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N4O/c1-28(22(31)7-6-20-15-27-29(2)17-20)16-19-9-12-30(13-10-19)11-8-18-4-3-5-21(14-18)23(24,25)26/h3-5,14-15,17,19H,6-13,16H2,1-2H3.
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide?
N-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide has a molecular weight of 436.52 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 42342350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).