4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide

C18H30N4O — CID 120566019

IUPAC4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
SMILESCC(N)CCC(=O)NCC(C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H30N4O/c1-15(19)8-9-18(23)20-14-16(2)21-10-12-22(13-11-21)17-6-4-3-5-7-17/h3-7,15-16H,8-14,19H2,1-2H3,(H,20,23)
InChIKeyKHNBSEYSKMOFRF-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.44
Rot. Bonds7

About 4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide

4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide (PubChem CID 120566019) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
PubChem CID120566019
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
SMILESCC(N)CCC(=O)NCC(C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H30N4O/c1-15(19)8-9-18(23)20-14-16(2)21-10-12-22(13-11-21)17-6-4-3-5-7-17/h3-7,15-16H,8-14,19H2,1-2H3,(H,20,23)
InChIKeyKHNBSEYSKMOFRF-UHFFFAOYSA-N
XLogP1.44
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55695053
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120597574
4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 55694698
3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 60511690
2-[cyclopropyl(methyl)amino]-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 60504013
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317
N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119902110
ethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate
CID 55694708
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55694795
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 51658596

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide?
The IUPAC name of 4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide (CID 120566019) is 4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide.
What is the SMILES notation for 4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide?
The canonical SMILES for 4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide is CC(N)CCC(=O)NCC(C)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide?
The InChIKey is KHNBSEYSKMOFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-15(19)8-9-18(23)20-14-16(2)21-10-12-22(13-11-21)17-6-4-3-5-7-17/h3-7,15-16H,8-14,19H2,1-2H3,(H,20,23).
What are the key properties of 4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide?
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide has a molecular weight of 318.46 g/mol, XLogP of 1.44, 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-phenylpiperazin-1-yl)propyl]pentanamide is sourced from PubChem (CID 120566019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).