N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide

C19H29N3O2 — CID 95711244

IUPACN,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
SMILESCCN(CC)C(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1
InChIInChI=1S/C19H29N3O2/c1-3-21(4-2)18(23)15-17-19(24)20-12-14-22(17)13-8-11-16-9-6-5-7-10-16/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3,(H,20,24)/t17-/m0/s1
InChIKeyVCXGDCQPFUTYNW-KRWDZBQOSA-N
MW331.46 g/mol
LogP1.68
Rot. Bonds8

About N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide

N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide (PubChem CID 95711244) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
PubChem CID95711244
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
SMILESCCN(CC)C(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1
InChIInChI=1S/C19H29N3O2/c1-3-21(4-2)18(23)15-17-19(24)20-12-14-22(17)13-8-11-16-9-6-5-7-10-16/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3,(H,20,24)/t17-/m0/s1
InChIKeyVCXGDCQPFUTYNW-KRWDZBQOSA-N
XLogP1.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95723897
N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-(2-phenylethyl)acetamide
CID 26321988
N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide
CID 56888360
N-methyl-N-(2-methylpropyl)-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95727903
methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate
CID 34534079
methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate
CID 45237645
N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 56891155
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95729853
N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728099
N-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 45177677
N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95717455
N,N-diethyl-2-[(2S)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 95723381

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide (CID 95711244) is N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide is CCN(CC)C(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1.
What is the InChIKey of N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
The InChIKey is VCXGDCQPFUTYNW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-21(4-2)18(23)15-17-19(24)20-12-14-22(17)13-8-11-16-9-6-5-7-10-16/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3,(H,20,24)/t17-/m0/s1.
What are the key properties of N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 95711244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).