4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride

C18H33Cl3N4O2 — CID 120566066

IUPAC4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride
SMILESCC(N)CCC(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1.Cl.Cl.Cl
InChIInChI=1S/C18H30N4O2.3ClH/c1-15(19)3-8-18(23)20-16-4-6-17(7-5-16)24-14-13-22-11-9-21(2)10-12-22;;;/h4-7,15H,3,8-14,19H2,1-2H3,(H,20,23);3*1H
InChIKeyGADCHWHATFRYSO-UHFFFAOYSA-N
MW443.85 g/mol
LogP2.64
Rot. Bonds8

About 4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride

4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride (PubChem CID 120566066) has the molecular formula C18H33Cl3N4O2 and a molecular weight of 443.85 g/mol. Its IUPAC name is 4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride
PubChem CID120566066
Molecular FormulaC18H33Cl3N4O2
Molecular Weight443.85 g/mol
Exact Mass442.17
IUPAC Name4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride
SMILESCC(N)CCC(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1.Cl.Cl.Cl
InChIInChI=1S/C18H30N4O2.3ClH/c1-15(19)3-8-18(23)20-16-4-6-17(7-5-16)24-14-13-22-11-9-21(2)10-12-22;;;/h4-7,15H,3,8-14,19H2,1-2H3,(H,20,23);3*1H
InChIKeyGADCHWHATFRYSO-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 119903586
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 71993662
(2S)-2-amino-3,3-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butanamide
CID 119903588
3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide
CID 574794
3-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]but-2-enamide
CID 71993668
4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one
CID 120564268
4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide
CID 120562385
N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9259318
3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 119903580
ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836577
(2E,4E)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexa-2,4-dienamide
CID 75407986
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride?
The IUPAC name of 4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride (CID 120566066) is 4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride.
What is the SMILES notation for 4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride?
The canonical SMILES for 4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride is CC(N)CCC(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1.Cl.Cl.Cl.
What is the InChIKey of 4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride?
The InChIKey is GADCHWHATFRYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2.3ClH/c1-15(19)3-8-18(23)20-16-4-6-17(7-5-16)24-14-13-22-11-9-21(2)10-12-22;;;/h4-7,15H,3,8-14,19H2,1-2H3,(H,20,23);3*1H.
What are the key properties of 4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride?
4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride has a molecular weight of 443.85 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride is sourced from PubChem (CID 120566066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).