2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one

C15H23N3O — CID 43650090

IUPAC2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-2-6-14(16)15(19)18-11-9-17(10-12-18)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12,16H2,1H3
InChIKeyGTILHXVVFZABDG-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.46
Rot. Bonds4

About 2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one

2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one (PubChem CID 43650090) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
PubChem CID43650090
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-2-6-14(16)15(19)18-11-9-17(10-12-18)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12,16H2,1H3
InChIKeyGTILHXVVFZABDG-UHFFFAOYSA-N
XLogP1.46
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 22691873
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 43650100
2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one
CID 75418356
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)pentan-1-one
CID 94373290
2-amino-3-phenyl-1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one;dihydrochloride
CID 119860769
2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119312366
2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one
CID 60853847
1-[3-amino-4-oxo-4-(4-phenylpiperazin-1-yl)butyl]pyrrole-2-carbonitrile;dihydrochloride
CID 66897535
2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 60918849
2-amino-1-(4-phenylazepan-1-yl)pentan-1-one
CID 119316138
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one
CID 61252307
(2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one
CID 104907576

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one (CID 43650090) is 2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one is CCCC(N)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one?
The InChIKey is GTILHXVVFZABDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-6-14(16)15(19)18-11-9-17(10-12-18)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12,16H2,1H3.
What are the key properties of 2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one?
2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 43650090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).