[4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone

C26H32N2O2 — CID 92616998

IUPAC[4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone
SMILESCOc1ccccc1Cc1cc(C)nc(C2CCN(C(=O)[C@H]3CC34CCC4)CC2)c1
InChIInChI=1S/C26H32N2O2/c1-18-14-19(15-21-6-3-4-7-24(21)30-2)16-23(27-18)20-8-12-28(13-9-20)25(29)22-17-26(22)10-5-11-26/h3-4,6-7,14,16,20,22H,5,8-13,15,17H2,1-2H3/t22-/m1/s1
InChIKeyMVJMCRAHAIHSLW-JOCHJYFZSA-N
MW404.55 g/mol
LogP4.89
Rot. Bonds5

About [4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone

[4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone (PubChem CID 92616998) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is [4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone.

Molecular Properties

Compound Name[4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone
PubChem CID92616998
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name[4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone
SMILESCOc1ccccc1Cc1cc(C)nc(C2CCN(C(=O)[C@H]3CC34CCC4)CC2)c1
InChIInChI=1S/C26H32N2O2/c1-18-14-19(15-21-6-3-4-7-24(21)30-2)16-23(27-18)20-8-12-28(13-9-20)25(29)22-17-26(22)10-5-11-26/h3-4,6-7,14,16,20,22H,5,8-13,15,17H2,1-2H3/t22-/m1/s1
InChIKeyMVJMCRAHAIHSLW-JOCHJYFZSA-N
XLogP4.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone with MolForge

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Related Compounds

[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110263682
[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
CID 110264183
4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine
CID 95814381
2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124941123
2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine
CID 95814383
1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 92616934
N-[(2-methoxyphenyl)methyl]-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 92637848
[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 92616884
1-[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 95814073
[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-6-oxaspiro[2.5]octan-2-yl]methanone
CID 97220931
[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 92616961
4-(2-methylphenoxy)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxylic acid
CID 95862242

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone?
The IUPAC name of [4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone (CID 92616998) is [4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone.
What is the SMILES notation for [4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone?
The canonical SMILES for [4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone is COc1ccccc1Cc1cc(C)nc(C2CCN(C(=O)[C@H]3CC34CCC4)CC2)c1.
What is the InChIKey of [4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone?
The InChIKey is MVJMCRAHAIHSLW-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-18-14-19(15-21-6-3-4-7-24(21)30-2)16-23(27-18)20-8-12-28(13-9-20)25(29)22-17-26(22)10-5-11-26/h3-4,6-7,14,16,20,22H,5,8-13,15,17H2,1-2H3/t22-/m1/s1.
What are the key properties of [4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone?
[4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone has a molecular weight of 404.55 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone is sourced from PubChem (CID 92616998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).