4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride

C16H28Cl4N4O — CID 119903745

IUPAC4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride
SMILESCl.Cl.Cl.NCCCC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H25ClN4O.3ClH/c17-14-3-1-4-15(13-14)21-11-9-20(10-12-21)8-7-19-16(22)5-2-6-18;;;/h1,3-4,13H,2,5-12,18H2,(H,19,22);3*1H
InChIKeyXKGQCXIUURGHQG-UHFFFAOYSA-N
MW434.24 g/mol
LogP2.58
Rot. Bonds7

About 4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride

4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride (PubChem CID 119903745) has the molecular formula C16H28Cl4N4O and a molecular weight of 434.24 g/mol. Its IUPAC name is 4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride
PubChem CID119903745
Molecular FormulaC16H28Cl4N4O
Molecular Weight434.24 g/mol
Exact Mass432.10
IUPAC Name4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride
SMILESCl.Cl.Cl.NCCCC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H25ClN4O.3ClH/c17-14-3-1-4-15(13-14)21-11-9-20(10-12-21)8-7-19-16(22)5-2-6-18;;;/h1,3-4,13H,2,5-12,18H2,(H,19,22);3*1H
InChIKeyXKGQCXIUURGHQG-UHFFFAOYSA-N
XLogP2.58
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.24
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3,3-dimethylbutanamide;trihydrochloride
CID 119903725
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662231
(2S)-2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]butanamide;trihydrochloride
CID 119902983
(2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide
CID 120801708
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 122176670
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978
2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 55778311
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)acetamide
CID 50802552
4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 119902006

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride?
The IUPAC name of 4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride (CID 119903745) is 4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride.
What is the SMILES notation for 4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride?
The canonical SMILES for 4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride is Cl.Cl.Cl.NCCCC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride?
The InChIKey is XKGQCXIUURGHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O.3ClH/c17-14-3-1-4-15(13-14)21-11-9-20(10-12-21)8-7-19-16(22)5-2-6-18;;;/h1,3-4,13H,2,5-12,18H2,(H,19,22);3*1H.
What are the key properties of 4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride?
4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride has a molecular weight of 434.24 g/mol, XLogP of 2.58, 7 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-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride is sourced from PubChem (CID 119903745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).