[(1R)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium

C24H28N3O+ — CID 9348920

IUPAC[(1R)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C24H27N3O/c1-19(22-13-7-9-20-8-5-6-12-23(20)22)25-18-24(28)27-16-14-26(15-17-27)21-10-3-2-4-11-21/h2-13,19,25H,14-18H2,1H3/p+1/t19-/m1/s1
InChIKeyVIEKTKYOJXKKNS-LJQANCHMSA-O
MW374.51 g/mol
LogP2.81
Rot. Bonds5

About [(1R)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium

[(1R)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium (PubChem CID 9348920) has the molecular formula C24H28N3O+ and a molecular weight of 374.51 g/mol. Its IUPAC name is [(1R)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium
PubChem CID9348920
Molecular FormulaC24H28N3O+
Molecular Weight374.51 g/mol
Exact Mass374.22
IUPAC Name[(1R)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C24H27N3O/c1-19(22-13-7-9-20-8-5-6-12-23(20)22)25-18-24(28)27-16-14-26(15-17-27)21-10-3-2-4-11-21/h2-13,19,25H,14-18H2,1H3/p+1/t19-/m1/s1
InChIKeyVIEKTKYOJXKKNS-LJQANCHMSA-O
XLogP2.81
TPSA40.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium with MolForge

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Related Compounds

[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium
CID 8695435
[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium
CID 9348672
[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397161
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]azanium
CID 8593616
[(1S)-1-(4-bromophenyl)propyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium
CID 9348692
3-methyl-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one
CID 110873770
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
[2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9396803
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 108997260
2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002134
(3S)-3-methyl-5-oxo-5-(4-phenylpiperazin-1-yl)pentanoate
CID 7317251

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium?
The IUPAC name of [(1R)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium (CID 9348920) is [(1R)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium.
What is the SMILES notation for [(1R)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium?
The canonical SMILES for [(1R)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium is C[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1cccc2ccccc12.
What is the InChIKey of [(1R)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium?
The InChIKey is VIEKTKYOJXKKNS-LJQANCHMSA-O. The full InChI is InChI=1S/C24H27N3O/c1-19(22-13-7-9-20-8-5-6-12-23(20)22)25-18-24(28)27-16-14-26(15-17-27)21-10-3-2-4-11-21/h2-13,19,25H,14-18H2,1H3/p+1/t19-/m1/s1.
What are the key properties of [(1R)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium?
[(1R)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium has a molecular weight of 374.51 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-naphthalen-1-ylethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium is sourced from PubChem (CID 9348920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).