N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride

C17H27Cl2N3O2 — CID 119919351

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
SMILESCNC1CCCN(C(C)C(=O)Nc2cc(C)c(Cl)cc2OC)C1.Cl
InChIInChI=1S/C17H26ClN3O2.ClH/c1-11-8-15(16(23-4)9-14(11)18)20-17(22)12(2)21-7-5-6-13(10-21)19-3;/h8-9,12-13,19H,5-7,10H2,1-4H3,(H,20,22);1H
InChIKeyQIXFCEMIYGUONZ-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.09
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride (PubChem CID 119919351) has the molecular formula C17H27Cl2N3O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
PubChem CID119919351
Molecular FormulaC17H27Cl2N3O2
Molecular Weight376.33 g/mol
Exact Mass375.15
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
SMILESCNC1CCCN(C(C)C(=O)Nc2cc(C)c(Cl)cc2OC)C1.Cl
InChIInChI=1S/C17H26ClN3O2.ClH/c1-11-8-15(16(23-4)9-14(11)18)20-17(22)12(2)21-7-5-6-13(10-21)19-3;/h8-9,12-13,19H,5-7,10H2,1-4H3,(H,20,22);1H
InChIKeyQIXFCEMIYGUONZ-UHFFFAOYSA-N
XLogP3.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-ethylpiperidine-3-carboxamide
CID 48937654
(3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 25493999
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methoxypiperidin-1-yl)propanamide
CID 17397855
ethyl 1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 26005998
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide;hydrochloride
CID 120773515
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclopropylpropanamide
CID 110428070
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 120762021
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918800
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680298
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate
CID 42960158

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride (CID 119919351) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride is CNC1CCCN(C(C)C(=O)Nc2cc(C)c(Cl)cc2OC)C1.Cl.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride?
The InChIKey is QIXFCEMIYGUONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2.ClH/c1-11-8-15(16(23-4)9-14(11)18)20-17(22)12(2)21-7-5-6-13(10-21)19-3;/h8-9,12-13,19H,5-7,10H2,1-4H3,(H,20,22);1H.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride has a molecular weight of 376.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride is sourced from PubChem (CID 119919351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).