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

C16H29Cl3N4O — CID 119901069

IUPAC4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
SMILESCCN1CCN(c2ccccc2NC(=O)CCCN)CC1.Cl.Cl.Cl
InChIInChI=1S/C16H26N4O.3ClH/c1-2-19-10-12-20(13-11-19)15-7-4-3-6-14(15)18-16(21)8-5-9-17;;;/h3-4,6-7H,2,5,8-13,17H2,1H3,(H,18,21);3*1H
InChIKeyRGDRLJRAKASWDO-UHFFFAOYSA-N
MW399.79 g/mol
LogP2.77
Rot. Bonds6

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

4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride (PubChem CID 119901069) has the molecular formula C16H29Cl3N4O and a molecular weight of 399.79 g/mol. Its IUPAC name is 4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
PubChem CID119901069
Molecular FormulaC16H29Cl3N4O
Molecular Weight399.79 g/mol
Exact Mass398.14
IUPAC Name4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
SMILESCCN1CCN(c2ccccc2NC(=O)CCCN)CC1.Cl.Cl.Cl
InChIInChI=1S/C16H26N4O.3ClH/c1-2-19-10-12-20(13-11-19)15-7-4-3-6-14(15)18-16(21)8-5-9-17;;;/h3-4,6-7H,2,5,8-13,17H2,1H3,(H,18,21);3*1H
InChIKeyRGDRLJRAKASWDO-UHFFFAOYSA-N
XLogP2.77
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.79
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride
CID 119901029
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901051
3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 55361022
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 17482833
6-amino-N-(2-morpholin-4-ylphenyl)hexanamide
CID 43708115
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide
CID 55973632
3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 119954238
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47017047
2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3889301
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide
CID 55757427

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride?
The IUPAC name of 4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride (CID 119901069) is 4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride.
What is the SMILES notation for 4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride?
The canonical SMILES for 4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride is CCN1CCN(c2ccccc2NC(=O)CCCN)CC1.Cl.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride?
The InChIKey is RGDRLJRAKASWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.3ClH/c1-2-19-10-12-20(13-11-19)15-7-4-3-6-14(15)18-16(21)8-5-9-17;;;/h3-4,6-7H,2,5,8-13,17H2,1H3,(H,18,21);3*1H.
What are the key properties of 4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride?
4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride has a molecular weight of 399.79 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride is sourced from PubChem (CID 119901069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).