3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride

C18H32Cl2N4O — CID 120613391

IUPAC3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride
SMILESCN(C)C1CCN(CCNC(=O)CCc2ccccc2N)CC1.Cl.Cl
InChIInChI=1S/C18H30N4O.2ClH/c1-21(2)16-9-12-22(13-10-16)14-11-20-18(23)8-7-15-5-3-4-6-17(15)19;;/h3-6,16H,7-14,19H2,1-2H3,(H,20,23);2*1H
InChIKeyVPUGONCTSYGNNF-UHFFFAOYSA-N
MW391.39 g/mol
LogP2.19
Rot. Bonds7

About 3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride

3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride (PubChem CID 120613391) has the molecular formula C18H32Cl2N4O and a molecular weight of 391.39 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride
PubChem CID120613391
Molecular FormulaC18H32Cl2N4O
Molecular Weight391.39 g/mol
Exact Mass390.20
IUPAC Name3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride
SMILESCN(C)C1CCN(CCNC(=O)CCc2ccccc2N)CC1.Cl.Cl
InChIInChI=1S/C18H30N4O.2ClH/c1-21(2)16-9-12-22(13-10-16)14-11-20-18(23)8-7-15-5-3-4-6-17(15)19;;/h3-6,16H,7-14,19H2,1-2H3,(H,20,23);2*1H
InChIKeyVPUGONCTSYGNNF-UHFFFAOYSA-N
XLogP2.19
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 55097553
3-(2-aminophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
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3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride
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3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 107272754
3-(2-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]propanamide;dihydrochloride
CID 120612401
3-(2-aminophenyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide;dihydrochloride
CID 120613450
3-(2-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 120612330
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride
CID 120612238
3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide
CID 120612672
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119895410
3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide
CID 60857376

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride (CID 120613391) is 3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride is CN(C)C1CCN(CCNC(=O)CCc2ccccc2N)CC1.Cl.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride?
The InChIKey is VPUGONCTSYGNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O.2ClH/c1-21(2)16-9-12-22(13-10-16)14-11-20-18(23)8-7-15-5-3-4-6-17(15)19;;/h3-6,16H,7-14,19H2,1-2H3,(H,20,23);2*1H.
What are the key properties of 3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride?
3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride has a molecular weight of 391.39 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 120613391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).