2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride

C18H31Cl2N3O2 — CID 119845048

IUPAC2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride
SMILESCOCCNCC(=O)Nc1ccc(CN2CCCC(C)C2)cc1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-15-4-3-10-21(13-15)14-16-5-7-17(8-6-16)20-18(22)12-19-9-11-23-2;;/h5-8,15,19H,3-4,9-14H2,1-2H3,(H,20,22);2*1H
InChIKeyVRMSEVVOVSFFGO-UHFFFAOYSA-N
MW392.37 g/mol
LogP2.94
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride

2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride (PubChem CID 119845048) has the molecular formula C18H31Cl2N3O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride
PubChem CID119845048
Molecular FormulaC18H31Cl2N3O2
Molecular Weight392.37 g/mol
Exact Mass391.18
IUPAC Name2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride
SMILESCOCCNCC(=O)Nc1ccc(CN2CCCC(C)C2)cc1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-15-4-3-10-21(13-15)14-16-5-7-17(8-6-16)20-18(22)12-19-9-11-23-2;;/h5-8,15,19H,3-4,9-14H2,1-2H3,(H,20,22);2*1H
InChIKeyVRMSEVVOVSFFGO-UHFFFAOYSA-N
XLogP2.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide
CID 51953570
2-(2-methoxyethylamino)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 119715728
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
(2S)-2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119845028
2-(2-methoxyethylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
CID 119836256
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide
CID 119715536
3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47041448
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119845030
N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490429
(2S)-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]-2-methylsulfanylpropanamide
CID 94885506

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride (CID 119845048) is 2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride is COCCNCC(=O)Nc1ccc(CN2CCCC(C)C2)cc1.Cl.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride?
The InChIKey is VRMSEVVOVSFFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.2ClH/c1-15-4-3-10-21(13-15)14-16-5-7-17(8-6-16)20-18(22)12-19-9-11-23-2;;/h5-8,15,19H,3-4,9-14H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride?
2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride has a molecular weight of 392.37 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 119845048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).