2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide

C20H29N3O2 — CID 56912365

IUPAC2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide
SMILESCCCC1(NC(=O)CC2C(=O)NCCN2CCc2ccccc2)CC1
InChIInChI=1S/C20H29N3O2/c1-2-9-20(10-11-20)22-18(24)15-17-19(25)21-12-14-23(17)13-8-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,21,25)(H,22,24)
InChIKeyJEQNSLLQPIEAHP-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.87
Rot. Bonds8

About 2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide

2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide (PubChem CID 56912365) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide.

Molecular Properties

Compound Name2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide
PubChem CID56912365
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide
SMILESCCCC1(NC(=O)CC2C(=O)NCCN2CCc2ccccc2)CC1
InChIInChI=1S/C20H29N3O2/c1-2-9-20(10-11-20)22-18(24)15-17-19(25)21-12-14-23(17)13-8-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,21,25)(H,22,24)
InChIKeyJEQNSLLQPIEAHP-UHFFFAOYSA-N
XLogP1.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 56911904
N-(2-methylbutan-2-yl)-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 56915595
N-cyclopentyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 45180827
N-(2-methylsulfanylethyl)-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 26398297
N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95727195
methyl 4-[[[2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetyl]amino]methyl]benzoate
CID 45205001
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95707080
N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 45197561
N-[(1-hydroxycyclohexyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 45237223
methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate
CID 34534079
2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 42198802
N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 42197313

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide?
The IUPAC name of 2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide (CID 56912365) is 2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide.
What is the SMILES notation for 2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide?
The canonical SMILES for 2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide is CCCC1(NC(=O)CC2C(=O)NCCN2CCc2ccccc2)CC1.
What is the InChIKey of 2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide?
The InChIKey is JEQNSLLQPIEAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-2-9-20(10-11-20)22-18(24)15-17-19(25)21-12-14-23(17)13-8-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide?
2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide has a molecular weight of 343.47 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide is sourced from PubChem (CID 56912365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).