[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone

C26H34N2O3 — CID 156703336

IUPAC[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
SMILESCOc1cccc(C2(O)CCN(C(=O)C3(c4ccccc4)CCC3)CC2CN(C)C)c1
InChIInChI=1S/C26H34N2O3/c1-27(2)18-22-19-28(16-15-26(22,30)21-11-7-12-23(17-21)31-3)24(29)25(13-8-14-25)20-9-5-4-6-10-20/h4-7,9-12,17,22,30H,8,13-16,18-19H2,1-3H3
InChIKeyCNNKSWQUFACVPO-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.41
Rot. Bonds6

About [3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone

[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone (PubChem CID 156703336) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
PubChem CID156703336
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
SMILESCOc1cccc(C2(O)CCN(C(=O)C3(c4ccccc4)CCC3)CC2CN(C)C)c1
InChIInChI=1S/C26H34N2O3/c1-27(2)18-22-19-28(16-15-26(22,30)21-11-7-12-23(17-21)31-3)24(29)25(13-8-14-25)20-9-5-4-6-10-20/h4-7,9-12,17,22,30H,8,13-16,18-19H2,1-3H3
InChIKeyCNNKSWQUFACVPO-UHFFFAOYSA-N
XLogP3.41
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone with MolForge

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Related Compounds

N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-(4-methoxyphenyl)acetamide
CID 49798130
1-Cyclobutyl-1-hydroxy-3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one
CID 10092881
N-[3-(2,6-Dimethyl-piperidin-1-yl)-propyl]-2,2-bis-(4-methoxy-phenyl)-acetamide
CID 10093851
N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-2-(3-methoxy-phenyl)-N-methyl-acetamide
CID 44392203
(2,2-Dimethylcyclopropyl)-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 53316946
Cyclobutyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 53319606
4-(2-Hydroxy-5-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-4-phenylbutan-1-one
CID 3025634
4-(2,5-Dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)-4-phenylbutan-1-one--hydrogen chloride (1/1)
CID 3025635
Cyclopropyl-[4-hydroxy-4-(3-methoxy-phenyl)-piperidin-1-yl]-methanone
CID 649029
Cyclobutyl-[4-hydroxy-4-(3-methoxy-phenyl)-piperidin-1-yl]-methanone
CID 653764
1-[4-Hydroxy-4-(3-methoxy-phenyl)-piperidin-1-yl]-2-methyl-propan-1-one
CID 1446471
{3-(2,4-Difluorobenzyl)-1-[(3-methoxyphenyl)acetyl]piperidin-3-yl}methanol
CID 23723832

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone (CID 156703336) is [3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone is COc1cccc(C2(O)CCN(C(=O)C3(c4ccccc4)CCC3)CC2CN(C)C)c1.
What is the InChIKey of [3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone?
The InChIKey is CNNKSWQUFACVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-27(2)18-22-19-28(16-15-26(22,30)21-11-7-12-23(17-21)31-3)24(29)25(13-8-14-25)20-9-5-4-6-10-20/h4-7,9-12,17,22,30H,8,13-16,18-19H2,1-3H3.
What are the key properties of [3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone?
[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone has a molecular weight of 422.57 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone is sourced from PubChem (CID 156703336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).