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

C21H25F3N4O2 — CID 139000544

IUPACN-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESO=C(NC1CCN(CC2CCCO2)CC1)c1cccc(-n2nccc2C(F)(F)F)c1
InChIInChI=1S/C21H25F3N4O2/c22-21(23,24)19-6-9-25-28(19)17-4-1-3-15(13-17)20(29)26-16-7-10-27(11-8-16)14-18-5-2-12-30-18/h1,3-4,6,9,13,16,18H,2,5,7-8,10-12,14H2,(H,26,29)
InChIKeyCWNBMPNXYXRSBO-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.26
Rot. Bonds5

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

N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 139000544) has the molecular formula C21H25F3N4O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID139000544
Molecular FormulaC21H25F3N4O2
Molecular Weight422.45 g/mol
Exact Mass422.19
IUPAC NameN-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESO=C(NC1CCN(CC2CCCO2)CC1)c1cccc(-n2nccc2C(F)(F)F)c1
InChIInChI=1S/C21H25F3N4O2/c22-21(23,24)19-6-9-25-28(19)17-4-1-3-15(13-17)20(29)26-16-7-10-27(11-8-16)14-18-5-2-12-30-18/h1,3-4,6,9,13,16,18H,2,5,7-8,10-12,14H2,(H,26,29)
InChIKeyCWNBMPNXYXRSBO-UHFFFAOYSA-N
XLogP3.26
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.26
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-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 136580010
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide
CID 125157089
N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119429223
4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 99929059
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
3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide
CID 97200263
3,5-dichloro-4-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]benzamide
CID 72896765
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119575990
1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea
CID 118784099

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 139000544) is N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide is O=C(NC1CCN(CC2CCCO2)CC1)c1cccc(-n2nccc2C(F)(F)F)c1.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is CWNBMPNXYXRSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O2/c22-21(23,24)19-6-9-25-28(19)17-4-1-3-15(13-17)20(29)26-16-7-10-27(11-8-16)14-18-5-2-12-30-18/h1,3-4,6,9,13,16,18H,2,5,7-8,10-12,14H2,(H,26,29).
What are the key properties of N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 422.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 139000544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).