2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide

C17H26N2O2 — CID 42851078

IUPAC2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-21-12-9-18-17(20)14-19-10-7-16(8-11-19)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H,18,20)
InChIKeyREXNJQKFSIKUPN-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.70
Rot. Bonds7

About 2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide

2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 42851078) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide
PubChem CID42851078
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-21-12-9-18-17(20)14-19-10-7-16(8-11-19)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H,18,20)
InChIKeyREXNJQKFSIKUPN-UHFFFAOYSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351
2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79608279
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8539276
N-(2-methoxyethyl)-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 55258549
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 27151287
2-(4-benzylpiperidin-1-yl)-N-(1-cyclopropylethyl)acetamide
CID 78719824
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
2-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 6468198
2-[4-(1-benzyl-7-oxo-5,6-dihydro-2H-azepin-6-yl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 110260543
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide (CID 42851078) is 2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is REXNJQKFSIKUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-12-9-18-17(20)14-19-10-7-16(8-11-19)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H,18,20).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide?
2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 42851078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).