N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride

C20H33ClN2O3 — CID 119811297

IUPACN-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOCCOc1cc(C)ccc1CNC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C20H32N2O3.ClH/c1-15-6-7-18(19(11-15)25-10-9-24-3)14-22-20(23)12-16(2)17-5-4-8-21-13-17;/h6-7,11,16-17,21H,4-5,8-10,12-14H2,1-3H3,(H,22,23);1H
InChIKeyXDEHEXVSPKRYDH-UHFFFAOYSA-N
MW384.95 g/mol
LogP3.08
Rot. Bonds9

About N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119811297) has the molecular formula C20H33ClN2O3 and a molecular weight of 384.95 g/mol. Its IUPAC name is N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119811297
Molecular FormulaC20H33ClN2O3
Molecular Weight384.95 g/mol
Exact Mass384.22
IUPAC NameN-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOCCOc1cc(C)ccc1CNC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C20H32N2O3.ClH/c1-15-6-7-18(19(11-15)25-10-9-24-3)14-22-20(23)12-16(2)17-5-4-8-21-13-17;/h6-7,11,16-17,21H,4-5,8-10,12-14H2,1-3H3,(H,22,23);1H
InChIKeyXDEHEXVSPKRYDH-UHFFFAOYSA-N
XLogP3.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 53.08
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-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119726878
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119802538
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119723367
N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119811192
N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119722670
N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119757253
N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 81049427
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714575
N-[3-(2-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119772269
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119811297) is N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride is COCCOc1cc(C)ccc1CNC(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is XDEHEXVSPKRYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3.ClH/c1-15-6-7-18(19(11-15)25-10-9-24-3)14-22-20(23)12-16(2)17-5-4-8-21-13-17;/h6-7,11,16-17,21H,4-5,8-10,12-14H2,1-3H3,(H,22,23);1H.
What are the key properties of N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119811297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).