[4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride

C19H31Cl2N3O3 — CID 119898008

IUPAC[4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
SMILESCOc1cc(NC2CCN(C(=O)C3CCCNC3)CC2)cc(OC)c1.Cl.Cl
InChIInChI=1S/C19H29N3O3.2ClH/c1-24-17-10-16(11-18(12-17)25-2)21-15-5-8-22(9-6-15)19(23)14-4-3-7-20-13-14;;/h10-12,14-15,20-21H,3-9,13H2,1-2H3;2*1H
InChIKeySDGHZFWEBVLWGZ-UHFFFAOYSA-N
MW420.38 g/mol
LogP2.95
Rot. Bonds5

About [4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride

[4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride (PubChem CID 119898008) has the molecular formula C19H31Cl2N3O3 and a molecular weight of 420.38 g/mol. Its IUPAC name is [4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
PubChem CID119898008
Molecular FormulaC19H31Cl2N3O3
Molecular Weight420.38 g/mol
Exact Mass419.17
IUPAC Name[4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
SMILESCOc1cc(NC2CCN(C(=O)C3CCCNC3)CC2)cc(OC)c1.Cl.Cl
InChIInChI=1S/C19H29N3O3.2ClH/c1-24-17-10-16(11-18(12-17)25-2)21-15-5-8-22(9-6-15)19(23)14-4-3-7-20-13-14;;/h10-12,14-15,20-21H,3-9,13H2,1-2H3;2*1H
InChIKeySDGHZFWEBVLWGZ-UHFFFAOYSA-N
XLogP2.95
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride 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

(3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone
CID 119898033
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119898039
trans-(1R,2R)-2-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 146134663
[4-(2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119826511
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 119313293
N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane
CID 176696090
[4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone
CID 119308981
N-[1-(piperidine-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;hydrochloride
CID 119278114
piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 119879720
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119888881
N-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 81129562
1-(3,5-dimethoxybenzoyl)-N-piperidin-3-ylpiperidine-4-carboxamide
CID 119427113

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride?
The IUPAC name of [4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride (CID 119898008) is [4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride?
The canonical SMILES for [4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride is COc1cc(NC2CCN(C(=O)C3CCCNC3)CC2)cc(OC)c1.Cl.Cl.
What is the InChIKey of [4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride?
The InChIKey is SDGHZFWEBVLWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.2ClH/c1-24-17-10-16(11-18(12-17)25-2)21-15-5-8-22(9-6-15)19(23)14-4-3-7-20-13-14;;/h10-12,14-15,20-21H,3-9,13H2,1-2H3;2*1H.
What are the key properties of [4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride?
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride has a molecular weight of 420.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride is sourced from PubChem (CID 119898008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).