N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride

C18H31Cl2N3O2 — CID 119861781

IUPACN-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
SMILESCOCCNCC(=O)NCC1CCCCN1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-23-12-10-19-14-18(22)20-13-17-9-5-6-11-21(17)15-16-7-3-2-4-8-16;;/h2-4,7-8,17,19H,5-6,9-15H2,1H3,(H,20,22);2*1H
InChIKeySPZHCJFHPGHELQ-UHFFFAOYSA-N
MW392.37 g/mol
LogP2.24
Rot. Bonds9

About N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride

N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride (PubChem CID 119861781) has the molecular formula C18H31Cl2N3O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
PubChem CID119861781
Molecular FormulaC18H31Cl2N3O2
Molecular Weight392.37 g/mol
Exact Mass391.18
IUPAC NameN-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
SMILESCOCCNCC(=O)NCC1CCCCN1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-23-12-10-19-14-18(22)20-13-17-9-5-6-11-21(17)15-16-7-3-2-4-8-16;;/h2-4,7-8,17,19H,5-6,9-15H2,1H3,(H,20,22);2*1H
InChIKeySPZHCJFHPGHELQ-UHFFFAOYSA-N
XLogP2.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 52.24
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-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide
CID 47082197
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62581300
methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate
CID 60595175
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119827623
3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
CID 119888709
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
5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120645194
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119872768
N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide
CID 167927460
N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide
CID 86853824

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride (CID 119861781) is N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride.
What is the SMILES notation for N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The canonical SMILES for N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride is COCCNCC(=O)NCC1CCCCN1Cc1ccccc1.Cl.Cl.
What is the InChIKey of N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The InChIKey is SPZHCJFHPGHELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.2ClH/c1-23-12-10-19-14-18(22)20-13-17-9-5-6-11-21(17)15-16-7-3-2-4-8-16;;/h2-4,7-8,17,19H,5-6,9-15H2,1H3,(H,20,22);2*1H.
What are the key properties of N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride has a molecular weight of 392.37 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride is sourced from PubChem (CID 119861781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).