N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride

C17H31Cl3N4O — CID 119901029

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride
SMILESCCN1CCN(c2ccccc2NC(=O)CCCNC)CC1.Cl.Cl.Cl
InChIInChI=1S/C17H28N4O.3ClH/c1-3-20-11-13-21(14-12-20)16-8-5-4-7-15(16)19-17(22)9-6-10-18-2;;;/h4-5,7-8,18H,3,6,9-14H2,1-2H3,(H,19,22);3*1H
InChIKeyHZLQADGQZRMGRJ-UHFFFAOYSA-N
MW413.82 g/mol
LogP3.03
Rot. Bonds7

About N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride

N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride (PubChem CID 119901029) has the molecular formula C17H31Cl3N4O and a molecular weight of 413.82 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride
PubChem CID119901029
Molecular FormulaC17H31Cl3N4O
Molecular Weight413.82 g/mol
Exact Mass412.16
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride
SMILESCCN1CCN(c2ccccc2NC(=O)CCCNC)CC1.Cl.Cl.Cl
InChIInChI=1S/C17H28N4O.3ClH/c1-3-20-11-13-21(14-12-20)16-8-5-4-7-15(16)19-17(22)9-6-10-18-2;;;/h4-5,7-8,18H,3,6,9-14H2,1-2H3,(H,19,22);3*1H
InChIKeyHZLQADGQZRMGRJ-UHFFFAOYSA-N
XLogP3.03
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.82
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901069
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119859796
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 17482833
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide
CID 55973632
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47017047
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901051
2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3889301
3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 55361022
3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 119954238
3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 18121767
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 55494793

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride (CID 119901029) is N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride is CCN1CCN(c2ccccc2NC(=O)CCCNC)CC1.Cl.Cl.Cl.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride?
The InChIKey is HZLQADGQZRMGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.3ClH/c1-3-20-11-13-21(14-12-20)16-8-5-4-7-15(16)19-17(22)9-6-10-18-2;;;/h4-5,7-8,18H,3,6,9-14H2,1-2H3,(H,19,22);3*1H.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride?
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride has a molecular weight of 413.82 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride is sourced from PubChem (CID 119901029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).