N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide

C19H23F3N4O2 — CID 136580010

IUPACN-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCOCCN1CCC(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1
InChIInChI=1S/C19H23F3N4O2/c1-28-12-11-25-9-6-15(7-10-25)24-18(27)14-3-2-4-16(13-14)26-17(5-8-23-26)19(20,21)22/h2-5,8,13,15H,6-7,9-12H2,1H3,(H,24,27)
InChIKeyNGZLVEMPAJAYGX-UHFFFAOYSA-N
MW396.41 g/mol
LogP2.73
Rot. Bonds6

About N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide

N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 136580010) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID136580010
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC NameN-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCOCCN1CCC(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1
InChIInChI=1S/C19H23F3N4O2/c1-28-12-11-25-9-6-15(7-10-25)24-18(27)14-3-2-4-16(13-14)26-17(5-8-23-26)19(20,21)22/h2-5,8,13,15H,6-7,9-12H2,1H3,(H,24,27)
InChIKeyNGZLVEMPAJAYGX-UHFFFAOYSA-N
XLogP2.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000751
N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000544
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119429223
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139002833
N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119504361
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119575990
N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119630682
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate
CID 47897961
N-(2-amino-2-ethylbutyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119643925
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119609023

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 136580010) is N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide is COCCN1CCC(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1.
What is the InChIKey of N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is NGZLVEMPAJAYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-28-12-11-25-9-6-15(7-10-25)24-18(27)14-3-2-4-16(13-14)26-17(5-8-23-26)19(20,21)22/h2-5,8,13,15H,6-7,9-12H2,1H3,(H,24,27).
What are the key properties of N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 396.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 136580010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).