N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride

C23H39ClN2O3 — CID 119790264

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOc1ccc(CCN(CC(C)C)C(=O)CC(C)C2CCCNC2)cc1OC.Cl
InChIInChI=1S/C23H38N2O3.ClH/c1-17(2)16-25(23(26)13-18(3)20-7-6-11-24-15-20)12-10-19-8-9-21(27-4)22(14-19)28-5;/h8-9,14,17-18,20,24H,6-7,10-13,15-16H2,1-5H3;1H
InChIKeyGXRHWLUFYIWECC-UHFFFAOYSA-N
MW427.03 g/mol
LogP4.18
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119790264) has the molecular formula C23H39ClN2O3 and a molecular weight of 427.03 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119790264
Molecular FormulaC23H39ClN2O3
Molecular Weight427.03 g/mol
Exact Mass426.26
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOc1ccc(CCN(CC(C)C)C(=O)CC(C)C2CCCNC2)cc1OC.Cl
InChIInChI=1S/C23H38N2O3.ClH/c1-17(2)16-25(23(26)13-18(3)20-7-6-11-24-15-20)12-10-19-8-9-21(27-4)22(14-19)28-5;/h8-9,14,17-18,20,24H,6-7,10-13,15-16H2,1-5H3;1H
InChIKeyGXRHWLUFYIWECC-UHFFFAOYSA-N
XLogP4.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.03
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride 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

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714575
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119759988
2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119474033
N-benzyl-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119681552
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119692017
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119694366
N-(2-methoxyethyl)-N-(3-phenylpropyl)-3-piperidin-3-ylbutanamide
CID 119756066
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119685027
1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119834174
N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119791148

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119790264) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride is COc1ccc(CCN(CC(C)C)C(=O)CC(C)C2CCCNC2)cc1OC.Cl.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is GXRHWLUFYIWECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O3.ClH/c1-17(2)16-25(23(26)13-18(3)20-7-6-11-24-15-20)12-10-19-8-9-21(27-4)22(14-19)28-5;/h8-9,14,17-18,20,24H,6-7,10-13,15-16H2,1-5H3;1H.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 427.03 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119790264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).