N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride

C15H25Cl2N3O — CID 19661853

IUPACN-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
SMILESCc1ccc(NC(=O)CCN2CCN(C)CC2)cc1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-13-3-5-14(6-4-13)16-15(19)7-8-18-11-9-17(2)10-12-18;;/h3-6H,7-12H2,1-2H3,(H,16,19);2*1H
InChIKeyVVJGZXDQCDQFAK-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.41
Rot. Bonds4

About N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride

N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride (PubChem CID 19661853) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
PubChem CID19661853
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC NameN-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
SMILESCc1ccc(NC(=O)CCN2CCN(C)CC2)cc1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-13-3-5-14(6-4-13)16-15(19)7-8-18-11-9-17(2)10-12-18;;/h3-6H,7-12H2,1-2H3,(H,16,19);2*1H
InChIKeyVVJGZXDQCDQFAK-UHFFFAOYSA-N
XLogP2.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
ethyl 4-[3-(4-methylpiperazin-1-yl)propanoylamino]benzoate
CID 109017437
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 24747079
N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 90485277
N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 148502419
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide
CID 109028499
5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide
CID 118735725
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide
CID 2901547
N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 5407042

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride?
The IUPAC name of N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride (CID 19661853) is N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride is Cc1ccc(NC(=O)CCN2CCN(C)CC2)cc1.Cl.Cl.
What is the InChIKey of N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride?
The InChIKey is VVJGZXDQCDQFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2ClH/c1-13-3-5-14(6-4-13)16-15(19)7-8-18-11-9-17(2)10-12-18;;/h3-6H,7-12H2,1-2H3,(H,16,19);2*1H.
What are the key properties of N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride?
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride has a molecular weight of 334.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride is sourced from PubChem (CID 19661853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).