1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C19H22F3N5O2 — CID 134799744

IUPAC1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCOc1ccc(Nc2ccnc(N3CCCC(C(=O)NCC(F)(F)F)C3)n2)cc1
InChIInChI=1S/C19H22F3N5O2/c1-29-15-6-4-14(5-7-15)25-16-8-9-23-18(26-16)27-10-2-3-13(11-27)17(28)24-12-19(20,21)22/h4-9,13H,2-3,10-12H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyUFIQRMQQBHEBGB-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.12
Rot. Bonds6

About 1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 134799744) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is 1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID134799744
Molecular FormulaC19H22F3N5O2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC Name1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCOc1ccc(Nc2ccnc(N3CCCC(C(=O)NCC(F)(F)F)C3)n2)cc1
InChIInChI=1S/C19H22F3N5O2/c1-29-15-6-4-14(5-7-15)25-16-8-9-23-18(26-16)27-10-2-3-13(11-27)17(28)24-12-19(20,21)22/h4-9,13H,2-3,10-12H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyUFIQRMQQBHEBGB-UHFFFAOYSA-N
XLogP3.12
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidine-3-carboxamide
CID 134797699
N-(2-methoxyethyl)-1-[4-(4-methylanilino)pyrimidin-2-yl]piperidine-3-carboxamide
CID 134801627
[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 134798553
1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 134802244
(3S)-N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452707
N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 134799597
N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 134800838
[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 134799885
(3R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42368186
(3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
CID 7435428

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 134799744) is 1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is COc1ccc(Nc2ccnc(N3CCCC(C(=O)NCC(F)(F)F)C3)n2)cc1.
What is the InChIKey of 1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is UFIQRMQQBHEBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c1-29-15-6-4-14(5-7-15)25-16-8-9-23-18(26-16)27-10-2-3-13(11-27)17(28)24-12-19(20,21)22/h4-9,13H,2-3,10-12H2,1H3,(H,24,28)(H,23,25,26).
What are the key properties of 1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 134799744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).