1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one

C23H32N2O5 — CID 70756480

IUPAC1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one
SMILESCCC(=O)C1CCCN(C(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)C1
InChIInChI=1S/C23H32N2O5/c1-3-21(26)18-5-4-12-25(15-18)23(28)17-6-8-19(9-7-17)30-20-10-13-24(14-11-20)22(27)16-29-2/h6-9,18,20H,3-5,10-16H2,1-2H3
InChIKeyMVIGIQWZJQXPTH-UHFFFAOYSA-N
MW416.52 g/mol
LogP2.53
Rot. Bonds7

About 1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one

1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one (PubChem CID 70756480) has the molecular formula C23H32N2O5 and a molecular weight of 416.52 g/mol. Its IUPAC name is 1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one
PubChem CID70756480
Molecular FormulaC23H32N2O5
Molecular Weight416.52 g/mol
Exact Mass416.23
IUPAC Name1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one
SMILESCCC(=O)C1CCCN(C(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)C1
InChIInChI=1S/C23H32N2O5/c1-3-21(26)18-5-4-12-25(15-18)23(28)17-6-8-19(9-7-17)30-20-10-13-24(14-11-20)22(27)16-29-2/h6-9,18,20H,3-5,10-16H2,1-2H3
InChIKeyMVIGIQWZJQXPTH-UHFFFAOYSA-N
XLogP2.53
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one with MolForge

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Related Compounds

2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone
CID 42306322
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
(3S)-1-ethyl-4-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]-3-methylpiperazin-2-one
CID 25386211
1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid
CID 119354149
2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone
CID 25280317
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide
CID 45180353
cyclopropyl-[4-[4-[(2R)-2-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 26398196
3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one
CID 42243815
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(4-methylthiadiazol-5-yl)methyl]benzamide
CID 72885997
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 26320229
piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone
CID 26328776

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one?
The IUPAC name of 1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one (CID 70756480) is 1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one?
The canonical SMILES for 1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one is CCC(=O)C1CCCN(C(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)C1.
What is the InChIKey of 1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one?
The InChIKey is MVIGIQWZJQXPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5/c1-3-21(26)18-5-4-12-25(15-18)23(28)17-6-8-19(9-7-17)30-20-10-13-24(14-11-20)22(27)16-29-2/h6-9,18,20H,3-5,10-16H2,1-2H3.
What are the key properties of 1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one?
1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one has a molecular weight of 416.52 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one is sourced from PubChem (CID 70756480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).