2-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methylamino]pyrimidine-4-carboxamide

C19H24FN5O2 — CID 19794400

IUPAC2-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methylamino]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(NCC2CCN(CCOc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H24FN5O2/c20-15-1-3-16(4-2-15)27-12-11-25-9-6-14(7-10-25)13-23-19-22-8-5-17(24-19)18(21)26/h1-5,8,14H,6-7,9-13H2,(H2,21,26)(H,22,23,24)
InChIKeyPPEKQDZITJFANW-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.92
Rot. Bonds8

About 2-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methylamino]pyrimidine-4-carboxamide

2-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methylamino]pyrimidine-4-carboxamide (PubChem CID 19794400) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methylamino]pyrimidine-4-carboxamide
PubChem CID19794400
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name2-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methylamino]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(NCC2CCN(CCOc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H24FN5O2/c20-15-1-3-16(4-2-15)27-12-11-25-9-6-14(7-10-25)13-23-19-22-8-5-17(24-19)18(21)26/h1-5,8,14H,6-7,9-13H2,(H2,21,26)(H,22,23,24)
InChIKeyPPEKQDZITJFANW-UHFFFAOYSA-N
XLogP1.92
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methylamino]pyrimidine-4-carboxamide?
The IUPAC name of 2-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methylamino]pyrimidine-4-carboxamide (CID 19794400) is 2-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methylamino]pyrimidine-4-carboxamide is NC(=O)c1ccnc(NCC2CCN(CCOc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methylamino]pyrimidine-4-carboxamide?
The InChIKey is PPEKQDZITJFANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c20-15-1-3-16(4-2-15)27-12-11-25-9-6-14(7-10-25)13-23-19-22-8-5-17(24-19)18(21)26/h1-5,8,14H,6-7,9-13H2,(H2,21,26)(H,22,23,24).
What are the key properties of 2-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methylamino]pyrimidine-4-carboxamide?
2-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methylamino]pyrimidine-4-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 19794400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).