[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone

C18H25NO4 — CID 95573565

IUPAC[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
SMILESCOc1cccc(OC)c1OC1CCN(C(=O)[C@@H]2C[C@H]2C)CC1
InChIInChI=1S/C18H25NO4/c1-12-11-14(12)18(20)19-9-7-13(8-10-19)23-17-15(21-2)5-4-6-16(17)22-3/h4-6,12-14H,7-11H2,1-3H3/t12-,14-/m1/s1
InChIKeyDAKFGCFUSJAMKR-TZMCWYRMSA-N
MW319.40 g/mol
LogP2.73
Rot. Bonds5

About [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone

[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone (PubChem CID 95573565) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
PubChem CID95573565
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
SMILESCOc1cccc(OC)c1OC1CCN(C(=O)[C@@H]2C[C@H]2C)CC1
InChIInChI=1S/C18H25NO4/c1-12-11-14(12)18(20)19-9-7-13(8-10-19)23-17-15(21-2)5-4-6-16(17)22-3/h4-6,12-14H,7-11H2,1-3H3/t12-,14-/m1/s1
InChIKeyDAKFGCFUSJAMKR-TZMCWYRMSA-N
XLogP2.73
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,6-dimethoxyphenoxy)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975654
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 56796149
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 56796144
2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid
CID 119134759
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56797957
(2-methylcyclopropyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 56643224
[(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 131201233
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
[4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70771871
(4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 95872118
(2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560263
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 9021310

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
The IUPAC name of [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone (CID 95573565) is [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone.
What is the SMILES notation for [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
The canonical SMILES for [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone is COc1cccc(OC)c1OC1CCN(C(=O)[C@@H]2C[C@H]2C)CC1.
What is the InChIKey of [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
The InChIKey is DAKFGCFUSJAMKR-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H25NO4/c1-12-11-14(12)18(20)19-9-7-13(8-10-19)23-17-15(21-2)5-4-6-16(17)22-3/h4-6,12-14H,7-11H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone has a molecular weight of 319.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone is sourced from PubChem (CID 95573565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).