1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one

C23H30N2O2 — CID 92616934

IUPAC1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cccc(Cc2cc(C)nc(C3CCN(C(=O)C(C)C)CC3)c2)c1
InChIInChI=1S/C23H30N2O2/c1-16(2)23(26)25-10-8-20(9-11-25)22-15-19(12-17(3)24-22)13-18-6-5-7-21(14-18)27-4/h5-7,12,14-16,20H,8-11,13H2,1-4H3
InChIKeyQIXRJUXNQRWVAJ-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.35
Rot. Bonds5

About 1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 92616934) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID92616934
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cccc(Cc2cc(C)nc(C3CCN(C(=O)C(C)C)CC3)c2)c1
InChIInChI=1S/C23H30N2O2/c1-16(2)23(26)25-10-8-20(9-11-25)22-15-19(12-17(3)24-22)13-18-6-5-7-21(14-18)27-4/h5-7,12,14-16,20H,8-11,13H2,1-4H3
InChIKeyQIXRJUXNQRWVAJ-UHFFFAOYSA-N
XLogP4.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

2-methyl-1-[(3R)-3-[6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95834676
2-[(2S)-2-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 92616720
2-(3-methoxyphenyl)-1-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110093130
1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110088942
[2-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 127251425
[4-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95810808
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92637888
1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110252554
2-[(3-methoxyphenyl)methyl-methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 78787759
2-(1H-indol-3-yl)-1-[4-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810020
1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
CID 92617091
[4-(ethoxymethyl)phenyl]-[4-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092279

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one (CID 92616934) is 1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one is COc1cccc(Cc2cc(C)nc(C3CCN(C(=O)C(C)C)CC3)c2)c1.
What is the InChIKey of 1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is QIXRJUXNQRWVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-16(2)23(26)25-10-8-20(9-11-25)22-15-19(12-17(3)24-22)13-18-6-5-7-21(14-18)27-4/h5-7,12,14-16,20H,8-11,13H2,1-4H3.
What are the key properties of 1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 366.51 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 92616934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).