N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride

C20H33ClN2O3 — CID 119754667

IUPACN-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCOc1ccc(CCCNC(=O)CC(C)C2CCNCC2)cc1OC.Cl
InChIInChI=1S/C20H32N2O3.ClH/c1-15(17-8-11-21-12-9-17)13-20(23)22-10-4-5-16-6-7-18(24-2)19(14-16)25-3;/h6-7,14-15,17,21H,4-5,8-13H2,1-3H3,(H,22,23);1H
InChIKeyQYRURNSPAGDDGF-UHFFFAOYSA-N
MW384.95 g/mol
LogP3.20
Rot. Bonds9

About N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119754667) has the molecular formula C20H33ClN2O3 and a molecular weight of 384.95 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119754667
Molecular FormulaC20H33ClN2O3
Molecular Weight384.95 g/mol
Exact Mass384.22
IUPAC NameN-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCOc1ccc(CCCNC(=O)CC(C)C2CCNCC2)cc1OC.Cl
InChIInChI=1S/C20H32N2O3.ClH/c1-15(17-8-11-21-12-9-17)13-20(23)22-10-4-5-16-6-7-18(24-2)19(14-16)25-3;/h6-7,14-15,17,21H,4-5,8-13H2,1-3H3,(H,22,23);1H
InChIKeyQYRURNSPAGDDGF-UHFFFAOYSA-N
XLogP3.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705625
N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119797678
N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119789313
N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide
CID 119732891
N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119813601
3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide
CID 119808136
methyl 4-(3-piperidin-4-ylbutanoylamino)butanoate
CID 119684765
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119718894
N-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675580

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119754667) is N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride is COc1ccc(CCCNC(=O)CC(C)C2CCNCC2)cc1OC.Cl.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is QYRURNSPAGDDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3.ClH/c1-15(17-8-11-21-12-9-17)13-20(23)22-10-4-5-16-6-7-18(24-2)19(14-16)25-3;/h6-7,14-15,17,21H,4-5,8-13H2,1-3H3,(H,22,23);1H.
What are the key properties of N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119754667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).