[4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone

C26H33FN2O3 — CID 170265183

IUPAC[4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
SMILESCOc1cc(C)ncc1C1CCN(C(=O)c2ccc(OCC3CCCCC3)cc2F)CC1
InChIInChI=1S/C26H33FN2O3/c1-18-14-25(31-2)23(16-28-18)20-10-12-29(13-11-20)26(30)22-9-8-21(15-24(22)27)32-17-19-6-4-3-5-7-19/h8-9,14-16,19-20H,3-7,10-13,17H2,1-2H3
InChIKeyQZGYLTDHXGXORA-UHFFFAOYSA-N
MW440.56 g/mol
LogP5.52
Rot. Bonds6

About [4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone

[4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone (PubChem CID 170265183) has the molecular formula C26H33FN2O3 and a molecular weight of 440.56 g/mol. Its IUPAC name is [4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
PubChem CID170265183
Molecular FormulaC26H33FN2O3
Molecular Weight440.56 g/mol
Exact Mass440.25
IUPAC Name[4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
SMILESCOc1cc(C)ncc1C1CCN(C(=O)c2ccc(OCC3CCCCC3)cc2F)CC1
InChIInChI=1S/C26H33FN2O3/c1-18-14-25(31-2)23(16-28-18)20-10-12-29(13-11-20)26(30)22-9-8-21(15-24(22)27)32-17-19-6-4-3-5-7-19/h8-9,14-16,19-20H,3-7,10-13,17H2,1-2H3
InChIKeyQZGYLTDHXGXORA-UHFFFAOYSA-N
XLogP5.52
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.56
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 170265048
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol
CID 159154644
[5-[(2-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 170265069
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 103628835
[4-[[(3R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097592
[5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone
CID 176715559
(2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346800
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 113265524
[3-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102884020
(2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 103804906
[4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150445

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone (CID 170265183) is [4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone is COc1cc(C)ncc1C1CCN(C(=O)c2ccc(OCC3CCCCC3)cc2F)CC1.
What is the InChIKey of [4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is QZGYLTDHXGXORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O3/c1-18-14-25(31-2)23(16-28-18)20-10-12-29(13-11-20)26(30)22-9-8-21(15-24(22)27)32-17-19-6-4-3-5-7-19/h8-9,14-16,19-20H,3-7,10-13,17H2,1-2H3.
What are the key properties of [4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone?
[4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 440.56 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 170265183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).