[6-methoxy-2-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-3-pyridinyl]carbamic acid

C14H17F3N4O4 — CID 91346876

IUPAC[6-methoxy-2-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-3-pyridinyl]carbamic acid
SMILESCOc1ccc(NC(=O)O)c(NC2CCN(C(=O)C(F)(F)F)CC2)n1
InChIInChI=1S/C14H17F3N4O4/c1-25-10-3-2-9(19-13(23)24)11(20-10)18-8-4-6-21(7-5-8)12(22)14(15,16)17/h2-3,8,19H,4-7H2,1H3,(H,18,20)(H,23,24)
InChIKeyNIGSSNIFZYKXDV-UHFFFAOYSA-N
MW362.31 g/mol
LogP2.15
Rot. Bonds4

About [6-methoxy-2-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-3-pyridinyl]carbamic acid

[6-methoxy-2-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-3-pyridinyl]carbamic acid (PubChem CID 91346876) has the molecular formula C14H17F3N4O4 and a molecular weight of 362.31 g/mol. Its IUPAC name is [6-methoxy-2-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-methoxy-2-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-3-pyridinyl]carbamic acid
PubChem CID91346876
Molecular FormulaC14H17F3N4O4
Molecular Weight362.31 g/mol
Exact Mass362.12
IUPAC Name[6-methoxy-2-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-3-pyridinyl]carbamic acid
SMILESCOc1ccc(NC(=O)O)c(NC2CCN(C(=O)C(F)(F)F)CC2)n1
InChIInChI=1S/C14H17F3N4O4/c1-25-10-3-2-9(19-13(23)24)11(20-10)18-8-4-6-21(7-5-8)12(22)14(15,16)17/h2-3,8,19H,4-7H2,1H3,(H,18,20)(H,23,24)
InChIKeyNIGSSNIFZYKXDV-UHFFFAOYSA-N
XLogP2.15
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-3-pyridinyl]carbamic acid?
The IUPAC name of [6-methoxy-2-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-3-pyridinyl]carbamic acid (CID 91346876) is [6-methoxy-2-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-3-pyridinyl]carbamic acid.
What is the SMILES notation for [6-methoxy-2-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-3-pyridinyl]carbamic acid?
The canonical SMILES for [6-methoxy-2-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-3-pyridinyl]carbamic acid is COc1ccc(NC(=O)O)c(NC2CCN(C(=O)C(F)(F)F)CC2)n1.
What is the InChIKey of [6-methoxy-2-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-3-pyridinyl]carbamic acid?
The InChIKey is NIGSSNIFZYKXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O4/c1-25-10-3-2-9(19-13(23)24)11(20-10)18-8-4-6-21(7-5-8)12(22)14(15,16)17/h2-3,8,19H,4-7H2,1H3,(H,18,20)(H,23,24).
What are the key properties of [6-methoxy-2-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-3-pyridinyl]carbamic acid?
[6-methoxy-2-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-3-pyridinyl]carbamic acid has a molecular weight of 362.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-3-pyridinyl]carbamic acid is sourced from PubChem (CID 91346876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).