2-[1-[4-[6-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]-2,6-difluorophenyl]piperidin-4-yl]acetic acid

C23H26F2N2O4 — CID 121447457

IUPAC2-[1-[4-[6-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]-2,6-difluorophenyl]piperidin-4-yl]acetic acid
SMILESCOc1ccc(-c2cc(F)c(N3CCC(CC(=O)O)CC3)c(F)c2)nc1OCC1CC1
InChIInChI=1S/C23H26F2N2O4/c1-30-20-5-4-19(26-23(20)31-13-15-2-3-15)16-11-17(24)22(18(25)12-16)27-8-6-14(7-9-27)10-21(28)29/h4-5,11-12,14-15H,2-3,6-10,13H2,1H3,(H,28,29)
InChIKeyMOUHBRUXCVNQQF-UHFFFAOYSA-N
MW432.47 g/mol
LogP4.52
Rot. Bonds8

About 2-[1-[4-[6-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]-2,6-difluorophenyl]piperidin-4-yl]acetic acid

2-[1-[4-[6-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]-2,6-difluorophenyl]piperidin-4-yl]acetic acid (PubChem CID 121447457) has the molecular formula C23H26F2N2O4 and a molecular weight of 432.47 g/mol. Its IUPAC name is 2-[1-[4-[6-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]-2,6-difluorophenyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-[6-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]-2,6-difluorophenyl]piperidin-4-yl]acetic acid
PubChem CID121447457
Molecular FormulaC23H26F2N2O4
Molecular Weight432.47 g/mol
Exact Mass432.19
IUPAC Name2-[1-[4-[6-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]-2,6-difluorophenyl]piperidin-4-yl]acetic acid
SMILESCOc1ccc(-c2cc(F)c(N3CCC(CC(=O)O)CC3)c(F)c2)nc1OCC1CC1
InChIInChI=1S/C23H26F2N2O4/c1-30-20-5-4-19(26-23(20)31-13-15-2-3-15)16-11-17(24)22(18(25)12-16)27-8-6-14(7-9-27)10-21(28)29/h4-5,11-12,14-15H,2-3,6-10,13H2,1H3,(H,28,29)
InChIKeyMOUHBRUXCVNQQF-UHFFFAOYSA-N
XLogP4.52
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[6-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]-2,6-difluorophenyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[4-[6-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]-2,6-difluorophenyl]piperidin-4-yl]acetic acid (CID 121447457) is 2-[1-[4-[6-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]-2,6-difluorophenyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-[6-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]-2,6-difluorophenyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[4-[6-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]-2,6-difluorophenyl]piperidin-4-yl]acetic acid is COc1ccc(-c2cc(F)c(N3CCC(CC(=O)O)CC3)c(F)c2)nc1OCC1CC1.
What is the InChIKey of 2-[1-[4-[6-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]-2,6-difluorophenyl]piperidin-4-yl]acetic acid?
The InChIKey is MOUHBRUXCVNQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O4/c1-30-20-5-4-19(26-23(20)31-13-15-2-3-15)16-11-17(24)22(18(25)12-16)27-8-6-14(7-9-27)10-21(28)29/h4-5,11-12,14-15H,2-3,6-10,13H2,1H3,(H,28,29).
What are the key properties of 2-[1-[4-[6-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]-2,6-difluorophenyl]piperidin-4-yl]acetic acid?
2-[1-[4-[6-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]-2,6-difluorophenyl]piperidin-4-yl]acetic acid has a molecular weight of 432.47 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[6-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]-2,6-difluorophenyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 121447457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).