N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide

C21H25F2N3O4 — CID 175415559

IUPACN-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide
SMILESCOc1cc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)C(C)OC)cn1
InChIInChI=1S/C21H25F2N3O4/c1-13(28-2)21(27)25-17-12-24-20(29-3)11-18(17)26-8-6-15(7-9-26)30-19-5-4-14(22)10-16(19)23/h4-5,10-13,15H,6-9H2,1-3H3,(H,25,27)
InChIKeyLDHRFYQRYRBGKU-UHFFFAOYSA-N
MW421.44 g/mol
LogP3.39
Rot. Bonds7

About N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide

N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide (PubChem CID 175415559) has the molecular formula C21H25F2N3O4 and a molecular weight of 421.44 g/mol. Its IUPAC name is N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide
PubChem CID175415559
Molecular FormulaC21H25F2N3O4
Molecular Weight421.44 g/mol
Exact Mass421.18
IUPAC NameN-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide
SMILESCOc1cc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)C(C)OC)cn1
InChIInChI=1S/C21H25F2N3O4/c1-13(28-2)21(27)25-17-12-24-20(29-3)11-18(17)26-8-6-15(7-9-26)30-19-5-4-14(22)10-16(19)23/h4-5,10-13,15H,6-9H2,1-3H3,(H,25,27)
InChIKeyLDHRFYQRYRBGKU-UHFFFAOYSA-N
XLogP3.39
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide?
The IUPAC name of N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide (CID 175415559) is N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide.
What is the SMILES notation for N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide?
The canonical SMILES for N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide is COc1cc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)C(C)OC)cn1.
What is the InChIKey of N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide?
The InChIKey is LDHRFYQRYRBGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O4/c1-13(28-2)21(27)25-17-12-24-20(29-3)11-18(17)26-8-6-15(7-9-26)30-19-5-4-14(22)10-16(19)23/h4-5,10-13,15H,6-9H2,1-3H3,(H,25,27).
What are the key properties of N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide?
N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide has a molecular weight of 421.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide is sourced from PubChem (CID 175415559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).