4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride

C18H33Cl3N4O2 — CID 120597574

IUPAC4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
SMILESCOC(CN)CC(=O)NCC(C)N1CCN(c2ccccc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C18H30N4O2.3ClH/c1-15(14-20-18(23)12-17(13-19)24-2)21-8-10-22(11-9-21)16-6-4-3-5-7-16;;;/h3-7,15,17H,8-14,19H2,1-2H3,(H,20,23);3*1H
InChIKeyFFSVMZCOOWDACQ-UHFFFAOYSA-N
MW443.85 g/mol
LogP1.94
Rot. Bonds8

About 4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride

4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride (PubChem CID 120597574) has the molecular formula C18H33Cl3N4O2 and a molecular weight of 443.85 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
PubChem CID120597574
Molecular FormulaC18H33Cl3N4O2
Molecular Weight443.85 g/mol
Exact Mass442.17
IUPAC Name4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
SMILESCOC(CN)CC(=O)NCC(C)N1CCN(c2ccccc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C18H30N4O2.3ClH/c1-15(14-20-18(23)12-17(13-19)24-2)21-8-10-22(11-9-21)16-6-4-3-5-7-16;;;/h3-7,15,17H,8-14,19H2,1-2H3,(H,20,23);3*1H
InChIKeyFFSVMZCOOWDACQ-UHFFFAOYSA-N
XLogP1.94
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.85
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
4-amino-3-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 120595532
2-[cyclopropyl(methyl)amino]-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 60504013
3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55695053
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide
CID 120596278
N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119902110
ethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate
CID 55694708
N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride
CID 119902119
(2S,5R)-5-(aminomethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]oxolane-2-carboxamide
CID 120801620

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride (CID 120597574) is 4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride is COC(CN)CC(=O)NCC(C)N1CCN(c2ccccc2)CC1.Cl.Cl.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride?
The InChIKey is FFSVMZCOOWDACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2.3ClH/c1-15(14-20-18(23)12-17(13-19)24-2)21-8-10-22(11-9-21)16-6-4-3-5-7-16;;;/h3-7,15,17H,8-14,19H2,1-2H3,(H,20,23);3*1H.
What are the key properties of 4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride?
4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride has a molecular weight of 443.85 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride is sourced from PubChem (CID 120597574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).