[2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-4-ylmethanone

C16H22F3N5O2 — CID 58168718

IUPAC[2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-4-ylmethanone
SMILESCN1CCC(Nc2ncc(C(=O)N3CCOCC3)c(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H22F3N5O2/c1-23-4-2-11(3-5-23)21-15-20-10-12(13(22-15)16(17,18)19)14(25)24-6-8-26-9-7-24/h10-11H,2-9H2,1H3,(H,20,21,22)
InChIKeyQTXMZEDWXFAVHM-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.47
Rot. Bonds3

About [2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-4-ylmethanone

[2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-4-ylmethanone (PubChem CID 58168718) has the molecular formula C16H22F3N5O2 and a molecular weight of 373.38 g/mol. Its IUPAC name is [2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-4-ylmethanone
PubChem CID58168718
Molecular FormulaC16H22F3N5O2
Molecular Weight373.38 g/mol
Exact Mass373.17
IUPAC Name[2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-4-ylmethanone
SMILESCN1CCC(Nc2ncc(C(=O)N3CCOCC3)c(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H22F3N5O2/c1-23-4-2-11(3-5-23)21-15-20-10-12(13(22-15)16(17,18)19)14(25)24-6-8-26-9-7-24/h10-11H,2-9H2,1H3,(H,20,21,22)
InChIKeyQTXMZEDWXFAVHM-UHFFFAOYSA-N
XLogP1.47
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-4-ylmethanone (CID 58168718) is [2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-4-ylmethanone is CN1CCC(Nc2ncc(C(=O)N3CCOCC3)c(C(F)(F)F)n2)CC1.
What is the InChIKey of [2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is QTXMZEDWXFAVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O2/c1-23-4-2-11(3-5-23)21-15-20-10-12(13(22-15)16(17,18)19)14(25)24-6-8-26-9-7-24/h10-11H,2-9H2,1H3,(H,20,21,22).
What are the key properties of [2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-4-ylmethanone?
[2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 373.38 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 58168718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).