[2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

C21H32N2O2 — CID 94816596

IUPAC[2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCOCc1ccccc1C(=O)N1CCC[C@@H](CN2CCC(C)CC2)C1
InChIInChI=1S/C21H32N2O2/c1-17-9-12-22(13-10-17)14-18-6-5-11-23(15-18)21(24)20-8-4-3-7-19(20)16-25-2/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3/t18-/m0/s1
InChIKeyJQEHQHFVMUKPNS-SFHVURJKSA-N
MW344.50 g/mol
LogP3.42
Rot. Bonds5

About [2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

[2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 94816596) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is [2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID94816596
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name[2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCOCc1ccccc1C(=O)N1CCC[C@@H](CN2CCC(C)CC2)C1
InChIInChI=1S/C21H32N2O2/c1-17-9-12-22(13-10-17)14-18-6-5-11-23(15-18)21(24)20-8-4-3-7-19(20)16-25-2/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3/t18-/m0/s1
InChIKeyJQEHQHFVMUKPNS-SFHVURJKSA-N
XLogP3.42
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone 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

N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 51083128
[3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 110886871
[3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119396946
(3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 52505386
3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 119953477
2-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]benzonitrile
CID 90648862
2H-benzotriazol-5-yl-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 94821961
[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 78861722
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 96500622
(3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 119035642
2,3-dihydro-1,4-benzodioxin-6-yl-[(3R)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 52518702
[2-(methoxymethyl)phenyl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346773

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone (CID 94816596) is [2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone is COCc1ccccc1C(=O)N1CCC[C@@H](CN2CCC(C)CC2)C1.
What is the InChIKey of [2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is JQEHQHFVMUKPNS-SFHVURJKSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-17-9-12-22(13-10-17)14-18-6-5-11-23(15-18)21(24)20-8-4-3-7-19(20)16-25-2/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3/t18-/m0/s1.
What are the key properties of [2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
[2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 344.50 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 94816596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).