1-(3-benzyl-4-ethylpiperazin-1-yl)decan-1-one

C23H38N2O — CID 68996990

IUPAC1-(3-benzyl-4-ethylpiperazin-1-yl)decan-1-one
SMILESCCCCCCCCCC(=O)N1CCN(CC)C(Cc2ccccc2)C1
InChIInChI=1S/C23H38N2O/c1-3-5-6-7-8-9-13-16-23(26)25-18-17-24(4-2)22(20-25)19-21-14-11-10-12-15-21/h10-12,14-15,22H,3-9,13,16-20H2,1-2H3
InChIKeyNGVFZGKSPPGKPW-UHFFFAOYSA-N
MW358.57 g/mol
LogP4.90
Rot. Bonds11

About 1-(3-benzyl-4-ethylpiperazin-1-yl)decan-1-one

1-(3-benzyl-4-ethylpiperazin-1-yl)decan-1-one (PubChem CID 68996990) has the molecular formula C23H38N2O and a molecular weight of 358.57 g/mol. Its IUPAC name is 1-(3-benzyl-4-ethylpiperazin-1-yl)decan-1-one.

Molecular Properties

Compound Name1-(3-benzyl-4-ethylpiperazin-1-yl)decan-1-one
PubChem CID68996990
Molecular FormulaC23H38N2O
Molecular Weight358.57 g/mol
Exact Mass358.30
IUPAC Name1-(3-benzyl-4-ethylpiperazin-1-yl)decan-1-one
SMILESCCCCCCCCCC(=O)N1CCN(CC)C(Cc2ccccc2)C1
InChIInChI=1S/C23H38N2O/c1-3-5-6-7-8-9-13-16-23(26)25-18-17-24(4-2)22(20-25)19-21-14-11-10-12-15-21/h10-12,14-15,22H,3-9,13,16-20H2,1-2H3
InChIKeyNGVFZGKSPPGKPW-UHFFFAOYSA-N
XLogP4.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 68996989
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CID 10286343
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
CID 71349223
1-(4-benzyl-4-methylpiperazin-4-ium-1-yl)icosan-1-one
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1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one
CID 110477513
[1-(2-oxoheptyl)-4-[3-(phenylmethoxycarbonylamino)propanoyl]piperazin-2-yl]methyl propanoate
CID 160721569
1-(3-benzylpiperazin-1-yl)butan-1-one
CID 82244330
benzyl (3R)-4-ethyl-3-(fluoromethyl)piperazine-1-carboxylate
CID 176897500
1-(3,4-dihydroxypyrrolidin-1-yl)octan-1-one
CID 86230613
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-4-ethylpiperazin-1-yl)decan-1-one?
The IUPAC name of 1-(3-benzyl-4-ethylpiperazin-1-yl)decan-1-one (CID 68996990) is 1-(3-benzyl-4-ethylpiperazin-1-yl)decan-1-one.
What is the SMILES notation for 1-(3-benzyl-4-ethylpiperazin-1-yl)decan-1-one?
The canonical SMILES for 1-(3-benzyl-4-ethylpiperazin-1-yl)decan-1-one is CCCCCCCCCC(=O)N1CCN(CC)C(Cc2ccccc2)C1.
What is the InChIKey of 1-(3-benzyl-4-ethylpiperazin-1-yl)decan-1-one?
The InChIKey is NGVFZGKSPPGKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O/c1-3-5-6-7-8-9-13-16-23(26)25-18-17-24(4-2)22(20-25)19-21-14-11-10-12-15-21/h10-12,14-15,22H,3-9,13,16-20H2,1-2H3.
What are the key properties of 1-(3-benzyl-4-ethylpiperazin-1-yl)decan-1-one?
1-(3-benzyl-4-ethylpiperazin-1-yl)decan-1-one has a molecular weight of 358.57 g/mol, XLogP of 4.90, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-4-ethylpiperazin-1-yl)decan-1-one is sourced from PubChem (CID 68996990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).