2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide

C17H27ClN4O — CID 119902978

IUPAC2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H27ClN4O/c1-17(2,19)16(23)20-7-4-8-21-9-11-22(12-10-21)15-6-3-5-14(18)13-15/h3,5-6,13H,4,7-12,19H2,1-2H3,(H,20,23)
InChIKeyZUTFDEDAGJXFPR-UHFFFAOYSA-N
MW338.88 g/mol
LogP1.71
Rot. Bonds6

About 2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide

2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide (PubChem CID 119902978) has the molecular formula C17H27ClN4O and a molecular weight of 338.88 g/mol. Its IUPAC name is 2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
PubChem CID119902978
Molecular FormulaC17H27ClN4O
Molecular Weight338.88 g/mol
Exact Mass338.19
IUPAC Name2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H27ClN4O/c1-17(2,19)16(23)20-7-4-8-21-9-11-22(12-10-21)15-6-3-5-14(18)13-15/h3,5-6,13H,4,7-12,19H2,1-2H3,(H,20,23)
InChIKeyZUTFDEDAGJXFPR-UHFFFAOYSA-N
XLogP1.71
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 51.71
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

(2S)-2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]butanamide;trihydrochloride
CID 119902983
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine
CID 111805444
(2S)-2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3,3-dimethylbutanamide;trihydrochloride
CID 119903725
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 15989718
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 122176670
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidine-3-carboxamide
CID 119902990
N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 86899023
2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 110437684
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine
CID 79810940
2-hydroxy-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-2,2-diphenylacetamide
CID 15458689

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide (CID 119902978) is 2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide is CC(C)(N)C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide?
The InChIKey is ZUTFDEDAGJXFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O/c1-17(2,19)16(23)20-7-4-8-21-9-11-22(12-10-21)15-6-3-5-14(18)13-15/h3,5-6,13H,4,7-12,19H2,1-2H3,(H,20,23).
What are the key properties of 2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide?
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide has a molecular weight of 338.88 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide is sourced from PubChem (CID 119902978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).