N-(3,4-dichlorophenyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]propanamide;hydrochloride

C23H29Cl3N2O2 — CID 131845056

IUPACN-(3,4-dichlorophenyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]propanamide;hydrochloride
SMILESCCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCN(CCc2ccc(OC)cc2)CC1.Cl
InChIInChI=1S/C23H28Cl2N2O2.ClH/c1-3-23(28)27(19-6-9-21(24)22(25)16-19)18-11-14-26(15-12-18)13-10-17-4-7-20(29-2)8-5-17;/h4-9,16,18H,3,10-15H2,1-2H3;1H
InChIKeyUCGCVACIAVOCOI-UHFFFAOYSA-N
MW471.86 g/mol
LogP5.87
Rot. Bonds7

About N-(3,4-dichlorophenyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]propanamide;hydrochloride

N-(3,4-dichlorophenyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]propanamide;hydrochloride (PubChem CID 131845056) has the molecular formula C23H29Cl3N2O2 and a molecular weight of 471.86 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]propanamide;hydrochloride
PubChem CID131845056
Molecular FormulaC23H29Cl3N2O2
Molecular Weight471.86 g/mol
Exact Mass470.13
IUPAC NameN-(3,4-dichlorophenyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]propanamide;hydrochloride
SMILESCCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCN(CCc2ccc(OC)cc2)CC1.Cl
InChIInChI=1S/C23H28Cl2N2O2.ClH/c1-3-23(28)27(19-6-9-21(24)22(25)16-19)18-11-14-26(15-12-18)13-10-17-4-7-20(29-2)8-5-17;/h4-9,16,18H,3,10-15H2,1-2H3;1H
InChIKeyUCGCVACIAVOCOI-UHFFFAOYSA-N
XLogP5.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.86
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 42853290
N-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 118796493
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
N-[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 137498604
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-(4-hydroxy-2-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 12741859
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
1,1-diethoxyethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 166758697
N-(3-fluoro-4-methylphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butanamide
CID 46048329
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]propanamide;hydrochloride?
The IUPAC name of N-(3,4-dichlorophenyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]propanamide;hydrochloride (CID 131845056) is N-(3,4-dichlorophenyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]propanamide;hydrochloride.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]propanamide;hydrochloride?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]propanamide;hydrochloride is CCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCN(CCc2ccc(OC)cc2)CC1.Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]propanamide;hydrochloride?
The InChIKey is UCGCVACIAVOCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O2.ClH/c1-3-23(28)27(19-6-9-21(24)22(25)16-19)18-11-14-26(15-12-18)13-10-17-4-7-20(29-2)8-5-17;/h4-9,16,18H,3,10-15H2,1-2H3;1H.
What are the key properties of N-(3,4-dichlorophenyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]propanamide;hydrochloride?
N-(3,4-dichlorophenyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]propanamide;hydrochloride has a molecular weight of 471.86 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]propanamide;hydrochloride is sourced from PubChem (CID 131845056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).