N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride

C22H29ClN2O3 — CID 119312817

IUPACN-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(CC(NC(=O)C2CCNCC2)c2ccccc2)cc1OC.Cl
InChIInChI=1S/C22H28N2O3.ClH/c1-26-20-9-8-16(15-21(20)27-2)14-19(17-6-4-3-5-7-17)24-22(25)18-10-12-23-13-11-18;/h3-9,15,18-19,23H,10-14H2,1-2H3,(H,24,25);1H
InChIKeyXVCKXCUPJKVINC-UHFFFAOYSA-N
MW404.94 g/mol
LogP3.53
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride

N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119312817) has the molecular formula C22H29ClN2O3 and a molecular weight of 404.94 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119312817
Molecular FormulaC22H29ClN2O3
Molecular Weight404.94 g/mol
Exact Mass404.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(CC(NC(=O)C2CCNCC2)c2ccccc2)cc1OC.Cl
InChIInChI=1S/C22H28N2O3.ClH/c1-26-20-9-8-16(15-21(20)27-2)14-19(17-6-4-3-5-7-17)24-22(25)18-10-12-23-13-11-18;/h3-9,15,18-19,23H,10-14H2,1-2H3,(H,24,25);1H
InChIKeyXVCKXCUPJKVINC-UHFFFAOYSA-N
XLogP3.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide
CID 119312818
3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide
CID 119765075
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide
CID 119315130
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119315129
(2S,5R)-5-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]oxolane-2-carboxamide;hydrochloride
CID 120791253
N-(1-phenylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119279862
N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-4-carboxamide
CID 103951345
4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide;hydrochloride
CID 119312825
N-[1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119754132
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide
CID 119312826

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride (CID 119312817) is N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride is COc1ccc(CC(NC(=O)C2CCNCC2)c2ccccc2)cc1OC.Cl.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is XVCKXCUPJKVINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3.ClH/c1-26-20-9-8-16(15-21(20)27-2)14-19(17-6-4-3-5-7-17)24-22(25)18-10-12-23-13-11-18;/h3-9,15,18-19,23H,10-14H2,1-2H3,(H,24,25);1H.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride?
N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 404.94 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119312817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).