2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide

C16H26N4O — CID 43461777

IUPAC2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C16H26N4O/c1-3-7-18-16(21)13(2)19-8-10-20(11-9-19)15-6-4-5-14(17)12-15/h4-6,12-13H,3,7-11,17H2,1-2H3,(H,18,21)
InChIKeyFDARGYWIBXMQFM-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.31
Rot. Bonds5

About 2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide

2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide (PubChem CID 43461777) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide
PubChem CID43461777
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C16H26N4O/c1-3-7-18-16(21)13(2)19-8-10-20(11-9-19)15-6-4-5-14(17)12-15/h4-6,12-13H,3,7-11,17H2,1-2H3,(H,18,21)
InChIKeyFDARGYWIBXMQFM-UHFFFAOYSA-N
XLogP1.31
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459892
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 51242874
(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide
CID 9275101
(2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide
CID 40741789
4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide
CID 43461735
4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide
CID 79153554
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 9430380
(2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95899369
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46043603
4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43461737
1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 43461708
N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide
CID 110483735

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide?
The IUPAC name of 2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide (CID 43461777) is 2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide?
The canonical SMILES for 2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide is CCCNC(=O)C(C)N1CCN(c2cccc(N)c2)CC1.
What is the InChIKey of 2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide?
The InChIKey is FDARGYWIBXMQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-7-18-16(21)13(2)19-8-10-20(11-9-19)15-6-4-5-14(17)12-15/h4-6,12-13H,3,7-11,17H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide?
2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide is sourced from PubChem (CID 43461777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).