1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one

C19H29NO2 — CID 110416532

IUPAC1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
SMILESCCOCC1CCCN(C(=O)CCCCc2ccccc2)C1
InChIInChI=1S/C19H29NO2/c1-2-22-16-18-12-8-14-20(15-18)19(21)13-7-6-11-17-9-4-3-5-10-17/h3-5,9-10,18H,2,6-8,11-16H2,1H3
InChIKeyQGLXWHBDMNNJBE-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.67
Rot. Bonds8

About 1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one

1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one (PubChem CID 110416532) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one.

Molecular Properties

Compound Name1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
PubChem CID110416532
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
SMILESCCOCC1CCCN(C(=O)CCCCc2ccccc2)C1
InChIInChI=1S/C19H29NO2/c1-2-22-16-18-12-8-14-20(15-18)19(21)13-7-6-11-17-9-4-3-5-10-17/h3-5,9-10,18H,2,6-8,11-16H2,1H3
InChIKeyQGLXWHBDMNNJBE-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110610379
1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one
CID 110418717
methyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate
CID 42459961
methyl 5-oxo-5-[(3S)-3-(2-phenylethyl)piperidin-1-yl]pentanoate
CID 42459965
1-(2-chlorophenyl)-4-[3-(ethoxymethyl)piperidin-1-yl]butane-1,4-dione
CID 110610376
1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413
1-[3-(2-chloroethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63396050
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide
CID 42378388
3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 110416463
3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129497255
2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 26402341
2-chloro-N-[[1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 45249030

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one?
The IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one (CID 110416532) is 1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one.
What is the SMILES notation for 1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one?
The canonical SMILES for 1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one is CCOCC1CCCN(C(=O)CCCCc2ccccc2)C1.
What is the InChIKey of 1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one?
The InChIKey is QGLXWHBDMNNJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-2-22-16-18-12-8-14-20(15-18)19(21)13-7-6-11-17-9-4-3-5-10-17/h3-5,9-10,18H,2,6-8,11-16H2,1H3.
What are the key properties of 1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one?
1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one has a molecular weight of 303.45 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one is sourced from PubChem (CID 110416532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).