N-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide

C17H25ClN2O2 — CID 166189153

IUPACN-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCCN(C(C)C(=O)NC(C)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O2/c1-12(14-6-8-15(18)9-7-14)19-17(21)13(2)20-10-4-5-16(11-20)22-3/h6-9,12-13,16H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKeyXXJZCXMPBWXFET-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.02
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide

N-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide (PubChem CID 166189153) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide
PubChem CID166189153
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCCN(C(C)C(=O)NC(C)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O2/c1-12(14-6-8-15(18)9-7-14)19-17(21)13(2)20-10-4-5-16(11-20)22-3/h6-9,12-13,16H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKeyXXJZCXMPBWXFET-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111333889
N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956440
2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800680
N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956363
2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride
CID 119920377
ethyl (3R)-1-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]piperidine-3-carboxylate
CID 27069320
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide
CID 86919422
(2R)-N-[(1S)-1-phenylethyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 27098394
N-[1-(4-chlorophenyl)ethyl]-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propanamide
CID 78897620
1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
CID 102960681
N-[1-(4-fluorophenyl)ethyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332568

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide (CID 166189153) is N-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide is COC1CCCN(C(C)C(=O)NC(C)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide?
The InChIKey is XXJZCXMPBWXFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-12(14-6-8-15(18)9-7-14)19-17(21)13(2)20-10-4-5-16(11-20)22-3/h6-9,12-13,16H,4-5,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide?
N-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide has a molecular weight of 324.85 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide is sourced from PubChem (CID 166189153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).