N-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide

C27H29F3N4O2 — CID 45186686

IUPACN-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
SMILESCN(C(=O)Cn1cccn1)C(Cc1ccccc1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C27H29F3N4O2/c1-32(25(35)19-34-14-6-13-31-34)24(17-20-7-3-2-4-8-20)21-11-15-33(16-12-21)26(36)22-9-5-10-23(18-22)27(28,29)30/h2-10,13-14,18,21,24H,11-12,15-17,19H2,1H3
InChIKeyONKBJBPQDOURMA-UHFFFAOYSA-N
MW498.55 g/mol
LogP4.52
Rot. Bonds7

About N-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide

N-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide (PubChem CID 45186686) has the molecular formula C27H29F3N4O2 and a molecular weight of 498.55 g/mol. Its IUPAC name is N-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
PubChem CID45186686
Molecular FormulaC27H29F3N4O2
Molecular Weight498.55 g/mol
Exact Mass498.22
IUPAC NameN-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
SMILESCN(C(=O)Cn1cccn1)C(Cc1ccccc1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C27H29F3N4O2/c1-32(25(35)19-34-14-6-13-31-34)24(17-20-7-3-2-4-8-20)21-11-15-33(16-12-21)26(36)22-9-5-10-23(18-22)27(28,29)30/h2-10,13-14,18,21,24H,11-12,15-17,19H2,1H3
InChIKeyONKBJBPQDOURMA-UHFFFAOYSA-N
XLogP4.52
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.55
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1R)-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-2-pyrazol-1-ylacetamide
CID 42238452
2-(dimethylamino)-N-methyl-N-[(1S)-2-phenyl-1-[1-(4-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]acetamide
CID 42419406
N-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42481400
(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 21025548
N-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 86993491
[4-(1-chloroethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 106839086
[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63595842
N,1-dimethyl-N-[(1S)-2-phenyl-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]pyrazole-3-carboxamide
CID 42482388
N-methyl-N-[(1S)-2-(2-methylphenyl)-1-[1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
CID 42380292
N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
CID 42192828
methyl 4-[[4-[(1S)-1-[methyl(propanoyl)amino]-2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]benzoate
CID 125155183
N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42318970

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide (CID 45186686) is N-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide is CN(C(=O)Cn1cccn1)C(Cc1ccccc1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide?
The InChIKey is ONKBJBPQDOURMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N4O2/c1-32(25(35)19-34-14-6-13-31-34)24(17-20-7-3-2-4-8-20)21-11-15-33(16-12-21)26(36)22-9-5-10-23(18-22)27(28,29)30/h2-10,13-14,18,21,24H,11-12,15-17,19H2,1H3.
What are the key properties of N-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide?
N-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide has a molecular weight of 498.55 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 45186686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).