3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride

C19H32Cl2N4O — CID 119513309

IUPAC3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride
SMILESCc1cccc(N2CCN(CCC(=O)NCC3CCCN3)CC2)c1.Cl.Cl
InChIInChI=1S/C19H30N4O.2ClH/c1-16-4-2-6-18(14-16)23-12-10-22(11-13-23)9-7-19(24)21-15-17-5-3-8-20-17;;/h2,4,6,14,17,20H,3,5,7-13,15H2,1H3,(H,21,24);2*1H
InChIKeyJMJQPPHYGYBCPA-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.22
Rot. Bonds6

About 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride

3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride (PubChem CID 119513309) has the molecular formula C19H32Cl2N4O and a molecular weight of 403.40 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride
PubChem CID119513309
Molecular FormulaC19H32Cl2N4O
Molecular Weight403.40 g/mol
Exact Mass402.20
IUPAC Name3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride
SMILESCc1cccc(N2CCN(CCC(=O)NCC3CCCN3)CC2)c1.Cl.Cl
InChIInChI=1S/C19H30N4O.2ClH/c1-16-4-2-6-18(14-16)23-12-10-22(11-13-23)9-7-19(24)21-15-17-5-3-8-20-17;;/h2,4,6,14,17,20H,3,5,7-13,15H2,1H3,(H,21,24);2*1H
InChIKeyJMJQPPHYGYBCPA-UHFFFAOYSA-N
XLogP2.22
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine
CID 62479760
1-(3-methylphenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 22689612
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 72879612
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119458299
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95215856
1-(1,4-diazepan-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119417381
3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 119402779
(2S)-2-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoylamino]propanoic acid
CID 119943282
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119647186
N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119524019

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride?
The IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride (CID 119513309) is 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride.
What is the SMILES notation for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride?
The canonical SMILES for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride is Cc1cccc(N2CCN(CCC(=O)NCC3CCCN3)CC2)c1.Cl.Cl.
What is the InChIKey of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride?
The InChIKey is JMJQPPHYGYBCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.2ClH/c1-16-4-2-6-18(14-16)23-12-10-22(11-13-23)9-7-19(24)21-15-17-5-3-8-20-17;;/h2,4,6,14,17,20H,3,5,7-13,15H2,1H3,(H,21,24);2*1H.
What are the key properties of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride?
3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride has a molecular weight of 403.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride is sourced from PubChem (CID 119513309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).