N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide

C24H33N3O2 — CID 9259822

IUPACN-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CN2CCN(CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C24H33N3O2/c1-3-20(2)21-9-11-22(12-10-21)25-24(28)19-27-15-13-26(14-16-27)17-18-29-23-7-5-4-6-8-23/h4-12,20H,3,13-19H2,1-2H3,(H,25,28)/t20-/m0/s1
InChIKeyXGPJJYXGCTYVHI-FQEVSTJZSA-N
MW395.55 g/mol
LogP3.84
Rot. Bonds9

About N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide

N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (PubChem CID 9259822) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
PubChem CID9259822
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CN2CCN(CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C24H33N3O2/c1-3-20(2)21-9-11-22(12-10-21)25-24(28)19-27-15-13-26(14-16-27)17-18-29-23-7-5-4-6-8-23/h4-12,20H,3,13-19H2,1-2H3,(H,25,28)/t20-/m0/s1
InChIKeyXGPJJYXGCTYVHI-FQEVSTJZSA-N
XLogP3.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzoate
CID 9259667
N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9259318
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 30986083
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653660
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
N-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide
CID 134045424
1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid
CID 2923057
2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide
CID 36947804
N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113960
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9259876

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (CID 9259822) is N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is CC[C@H](C)c1ccc(NC(=O)CN2CCN(CCOc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The InChIKey is XGPJJYXGCTYVHI-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-3-20(2)21-9-11-22(12-10-21)25-24(28)19-27-15-13-26(14-16-27)17-18-29-23-7-5-4-6-8-23/h4-12,20H,3,13-19H2,1-2H3,(H,25,28)/t20-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide has a molecular weight of 395.55 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 9259822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).