3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide

C19H32N4O — CID 109016894

IUPAC3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H32N4O/c1-21(2)11-6-10-20-19(24)9-12-22-13-15-23(16-14-22)17-18-7-4-3-5-8-18/h3-5,7-8H,6,9-17H2,1-2H3,(H,20,24)
InChIKeyLEJBXSRGXRPTOQ-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.26
Rot. Bonds9

About 3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide

3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 109016894) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide
PubChem CID109016894
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H32N4O/c1-21(2)11-6-10-20-19(24)9-12-22-13-15-23(16-14-22)17-18-7-4-3-5-8-18/h3-5,7-8H,6,9-17H2,1-2H3,(H,20,24)
InChIKeyLEJBXSRGXRPTOQ-UHFFFAOYSA-N
XLogP1.26
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.26
H-Bond Donors ≤ 51
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-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109016909
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 119902006
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide
CID 120703889
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-hydroxyethyl)urea
CID 110894265
N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide
CID 109016887
6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154403
N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 46551381
4-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106248
4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
CID 91431275
N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide
CID 109020407
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide
CID 110287317

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide (CID 109016894) is 3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide is CN(C)CCCNC(=O)CCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is LEJBXSRGXRPTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-21(2)11-6-10-20-19(24)9-12-22-13-15-23(16-14-22)17-18-7-4-3-5-8-18/h3-5,7-8H,6,9-17H2,1-2H3,(H,20,24).
What are the key properties of 3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide?
3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 332.49 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 109016894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).