N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride

C17H29Cl2N3O2 — CID 119827623

IUPACN-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
SMILESCOCCNCC(=O)NC1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-22-12-9-18-13-17(21)19-16-7-10-20(11-8-16)14-15-5-3-2-4-6-15;;/h2-6,16,18H,7-14H2,1H3,(H,19,21);2*1H
InChIKeyRSOUTZKVHMAOIM-UHFFFAOYSA-N
MW378.34 g/mol
LogP1.85
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride

N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride (PubChem CID 119827623) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
PubChem CID119827623
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
SMILESCOCCNCC(=O)NC1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-22-12-9-18-13-17(21)19-16-7-10-20(11-8-16)14-15-5-3-2-4-6-15;;/h2-6,16,18H,7-14H2,1H3,(H,19,21);2*1H
InChIKeyRSOUTZKVHMAOIM-UHFFFAOYSA-N
XLogP1.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 51.85
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-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119899112
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzyl-2-oxopyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119757847
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119895540
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119872768
N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119854245
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
1-(4-benzyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119399445
2-(2-methoxyethylamino)-N-(3-phenylcyclobutyl)acetamide
CID 119774808
N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 123647467
(2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 118547816

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride (CID 119827623) is N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride is COCCNCC(=O)NC1CCN(Cc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The InChIKey is RSOUTZKVHMAOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-22-12-9-18-13-17(21)19-16-7-10-20(11-8-16)14-15-5-3-2-4-6-15;;/h2-6,16,18H,7-14H2,1H3,(H,19,21);2*1H.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride?
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride is sourced from PubChem (CID 119827623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).