N-(5-morpholin-4-yl-2-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C23H25F3N4O3 — CID 55549138

IUPACN-(5-morpholin-4-yl-2-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cn1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H25F3N4O3/c24-23(25,26)18-3-1-17(2-4-18)22(32)30-9-7-16(8-10-30)21(31)28-20-6-5-19(15-27-20)29-11-13-33-14-12-29/h1-6,15-16H,7-14H2,(H,27,28,31)
InChIKeyYQODIURRYCFWHR-UHFFFAOYSA-N
MW462.47 g/mol
LogP3.43
Rot. Bonds4

About N-(5-morpholin-4-yl-2-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

N-(5-morpholin-4-yl-2-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 55549138) has the molecular formula C23H25F3N4O3 and a molecular weight of 462.47 g/mol. Its IUPAC name is N-(5-morpholin-4-yl-2-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-morpholin-4-yl-2-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID55549138
Molecular FormulaC23H25F3N4O3
Molecular Weight462.47 g/mol
Exact Mass462.19
IUPAC NameN-(5-morpholin-4-yl-2-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cn1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H25F3N4O3/c24-23(25,26)18-3-1-17(2-4-18)22(32)30-9-7-16(8-10-30)21(31)28-20-6-5-19(15-27-20)29-11-13-33-14-12-29/h1-6,15-16H,7-14H2,(H,27,28,31)
InChIKeyYQODIURRYCFWHR-UHFFFAOYSA-N
XLogP3.43
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropanoyl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide
CID 33448100
morpholin-4-yl-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 32651661
N-pyridin-4-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41373176
N-(5-morpholin-4-yl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 119842040
N-(6-chloro-3-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 58016180
N-(5-morpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38143196
(2S,4S)-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide;hydrochloride
CID 120632213
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 46688999
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide
CID 113029548

Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-yl-2-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-morpholin-4-yl-2-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 55549138) is N-(5-morpholin-4-yl-2-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-morpholin-4-yl-2-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-morpholin-4-yl-2-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is O=C(Nc1ccc(N2CCOCC2)cn1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(5-morpholin-4-yl-2-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is YQODIURRYCFWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O3/c24-23(25,26)18-3-1-17(2-4-18)22(32)30-9-7-16(8-10-30)21(31)28-20-6-5-19(15-27-20)29-11-13-33-14-12-29/h1-6,15-16H,7-14H2,(H,27,28,31).
What are the key properties of N-(5-morpholin-4-yl-2-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-(5-morpholin-4-yl-2-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 462.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-yl-2-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55549138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).