2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone

C23H34N2O5 — CID 42306322

IUPAC2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone
SMILESCCCO[C@@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)C1
InChIInChI=1S/C23H34N2O5/c1-3-15-29-21-5-4-12-25(16-21)23(27)18-6-8-19(9-7-18)30-20-10-13-24(14-11-20)22(26)17-28-2/h6-9,20-21H,3-5,10-17H2,1-2H3/t21-/m1/s1
InChIKeyAAVFJEWXUPQYQA-OAQYLSRUSA-N
MW418.53 g/mol
LogP2.73
Rot. Bonds8

About 2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone

2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone (PubChem CID 42306322) has the molecular formula C23H34N2O5 and a molecular weight of 418.53 g/mol. Its IUPAC name is 2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone
PubChem CID42306322
Molecular FormulaC23H34N2O5
Molecular Weight418.53 g/mol
Exact Mass418.25
IUPAC Name2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone
SMILESCCCO[C@@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)C1
InChIInChI=1S/C23H34N2O5/c1-3-15-29-21-5-4-12-25(16-21)23(27)18-6-8-19(9-7-18)30-20-10-13-24(14-11-20)22(26)17-28-2/h6-9,20-21H,3-5,10-17H2,1-2H3/t21-/m1/s1
InChIKeyAAVFJEWXUPQYQA-OAQYLSRUSA-N
XLogP2.73
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one
CID 70756480
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
(4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 42844207
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
(4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103872801
(3S)-1-ethyl-4-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]-3-methylpiperazin-2-one
CID 25386211
5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 126452673

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone (CID 42306322) is 2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone is CCCO[C@@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)C1.
What is the InChIKey of 2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone?
The InChIKey is AAVFJEWXUPQYQA-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H34N2O5/c1-3-15-29-21-5-4-12-25(16-21)23(27)18-6-8-19(9-7-18)30-20-10-13-24(14-11-20)22(26)17-28-2/h6-9,20-21H,3-5,10-17H2,1-2H3/t21-/m1/s1.
What are the key properties of 2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone has a molecular weight of 418.53 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 42306322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).