1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one

C22H28N2O3 — CID 163253215

IUPAC1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one
SMILESCOc1cc(C(=O)C(C)C)ccc1COc1cccc(C2CCNCC2)n1
InChIInChI=1S/C22H28N2O3/c1-15(2)22(25)17-7-8-18(20(13-17)26-3)14-27-21-6-4-5-19(24-21)16-9-11-23-12-10-16/h4-8,13,15-16,23H,9-12,14H2,1-3H3
InChIKeyCHFULAPBULNSGZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.97
Rot. Bonds7

About 1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one

1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one (PubChem CID 163253215) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one
PubChem CID163253215
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one
SMILESCOc1cc(C(=O)C(C)C)ccc1COc1cccc(C2CCNCC2)n1
InChIInChI=1S/C22H28N2O3/c1-15(2)22(25)17-7-8-18(20(13-17)26-3)14-27-21-6-4-5-19(24-21)16-9-11-23-12-10-16/h4-8,13,15-16,23H,9-12,14H2,1-3H3
InChIKeyCHFULAPBULNSGZ-UHFFFAOYSA-N
XLogP3.97
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one (CID 163253215) is 1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one is COc1cc(C(=O)C(C)C)ccc1COc1cccc(C2CCNCC2)n1.
What is the InChIKey of 1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one?
The InChIKey is CHFULAPBULNSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15(2)22(25)17-7-8-18(20(13-17)26-3)14-27-21-6-4-5-19(24-21)16-9-11-23-12-10-16/h4-8,13,15-16,23H,9-12,14H2,1-3H3.
What are the key properties of 1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one?
1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one has a molecular weight of 368.48 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 163253215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).