2-[(2-methoxyphenyl)methyl]-3-methyl-4-methylidenepiperidine;2-[(2-methoxyphenyl)methyl]-3-methylpiperidin-4-one

C29H40N2O3 — CID 159994511

IUPAC2-[(2-methoxyphenyl)methyl]-3-methyl-4-methylidenepiperidine;2-[(2-methoxyphenyl)methyl]-3-methylpiperidin-4-one
SMILESC=C1CCNC(Cc2ccccc2OC)C1C.COc1ccccc1CC1NCCC(=O)C1C
InChIInChI=1S/C15H21NO.C14H19NO2/c1-11-8-9-16-14(12(11)2)10-13-6-4-5-7-15(13)17-3;1-10-12(15-8-7-13(10)16)9-11-5-3-4-6-14(11)17-2/h4-7,12,14,16H,1,8-10H2,2-3H3;3-6,10,12,15H,7-9H2,1-2H3
InChIKeyOHJHRWXOJLMNFT-UHFFFAOYSA-N
MW464.65 g/mol
LogP4.60
Rot. Bonds6

About 2-[(2-methoxyphenyl)methyl]-3-methyl-4-methylidenepiperidine;2-[(2-methoxyphenyl)methyl]-3-methylpiperidin-4-one

2-[(2-methoxyphenyl)methyl]-3-methyl-4-methylidenepiperidine;2-[(2-methoxyphenyl)methyl]-3-methylpiperidin-4-one (PubChem CID 159994511) has the molecular formula C29H40N2O3 and a molecular weight of 464.65 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-3-methyl-4-methylidenepiperidine;2-[(2-methoxyphenyl)methyl]-3-methylpiperidin-4-one.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-3-methyl-4-methylidenepiperidine;2-[(2-methoxyphenyl)methyl]-3-methylpiperidin-4-one
PubChem CID159994511
Molecular FormulaC29H40N2O3
Molecular Weight464.65 g/mol
Exact Mass464.30
IUPAC Name2-[(2-methoxyphenyl)methyl]-3-methyl-4-methylidenepiperidine;2-[(2-methoxyphenyl)methyl]-3-methylpiperidin-4-one
SMILESC=C1CCNC(Cc2ccccc2OC)C1C.COc1ccccc1CC1NCCC(=O)C1C
InChIInChI=1S/C15H21NO.C14H19NO2/c1-11-8-9-16-14(12(11)2)10-13-6-4-5-7-15(13)17-3;1-10-12(15-8-7-13(10)16)9-11-5-3-4-6-14(11)17-2/h4-7,12,14,16H,1,8-10H2,2-3H3;3-6,10,12,15H,7-9H2,1-2H3
InChIKeyOHJHRWXOJLMNFT-UHFFFAOYSA-N
XLogP4.60
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(2-methoxyphenyl)methyl]-3-methyl-4-methylidenepiperidine;2-[(2-methoxyphenyl)methyl]-3-methylpiperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 104679153
(5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one
CID 68882474
2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazinane;hydrochloride
CID 117226870
4-[(2-methoxyphenyl)methyl]-2-methylpyrrolidine
CID 23009519
3-[(2-methoxyphenyl)methyl]cyclopentan-1-one
CID 64521537
(2S)-4-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 70543840
4-[(2-methoxyphenyl)methyl]thiolan-3-one
CID 83196911
(4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 10705020
2-[(2-methoxyphenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide
CID 106778055
1-(cyclopent-3-en-1-ylmethyl)-2-methoxybenzene
CID 23391764
4-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63868794
3-[(2-methoxyphenyl)methyl]oxolan-2-one
CID 12025278

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-3-methyl-4-methylidenepiperidine;2-[(2-methoxyphenyl)methyl]-3-methylpiperidin-4-one?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-3-methyl-4-methylidenepiperidine;2-[(2-methoxyphenyl)methyl]-3-methylpiperidin-4-one (CID 159994511) is 2-[(2-methoxyphenyl)methyl]-3-methyl-4-methylidenepiperidine;2-[(2-methoxyphenyl)methyl]-3-methylpiperidin-4-one.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-3-methyl-4-methylidenepiperidine;2-[(2-methoxyphenyl)methyl]-3-methylpiperidin-4-one?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-3-methyl-4-methylidenepiperidine;2-[(2-methoxyphenyl)methyl]-3-methylpiperidin-4-one is C=C1CCNC(Cc2ccccc2OC)C1C.COc1ccccc1CC1NCCC(=O)C1C.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-3-methyl-4-methylidenepiperidine;2-[(2-methoxyphenyl)methyl]-3-methylpiperidin-4-one?
The InChIKey is OHJHRWXOJLMNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C14H19NO2/c1-11-8-9-16-14(12(11)2)10-13-6-4-5-7-15(13)17-3;1-10-12(15-8-7-13(10)16)9-11-5-3-4-6-14(11)17-2/h4-7,12,14,16H,1,8-10H2,2-3H3;3-6,10,12,15H,7-9H2,1-2H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-3-methyl-4-methylidenepiperidine;2-[(2-methoxyphenyl)methyl]-3-methylpiperidin-4-one?
2-[(2-methoxyphenyl)methyl]-3-methyl-4-methylidenepiperidine;2-[(2-methoxyphenyl)methyl]-3-methylpiperidin-4-one has a molecular weight of 464.65 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-3-methyl-4-methylidenepiperidine;2-[(2-methoxyphenyl)methyl]-3-methylpiperidin-4-one is sourced from PubChem (CID 159994511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).