N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide

C20H31N3O3 — CID 95717455

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
SMILESCN(CC(C)(C)CO)C(=O)C[C@H]1C(=O)NCCN1CCc1ccccc1
InChIInChI=1S/C20H31N3O3/c1-20(2,15-24)14-22(3)18(25)13-17-19(26)21-10-12-23(17)11-9-16-7-5-4-6-8-16/h4-8,17,24H,9-15H2,1-3H3,(H,21,26)/t17-/m0/s1
InChIKeyFIQQUZGKIPZQNK-KRWDZBQOSA-N
MW361.49 g/mol
LogP0.90
Rot. Bonds8

About N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide

N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide (PubChem CID 95717455) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
PubChem CID95717455
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
SMILESCN(CC(C)(C)CO)C(=O)C[C@H]1C(=O)NCCN1CCc1ccccc1
InChIInChI=1S/C20H31N3O3/c1-20(2,15-24)14-22(3)18(25)13-17-19(26)21-10-12-23(17)11-9-16-7-5-4-6-8-16/h4-8,17,24H,9-15H2,1-3H3,(H,21,26)/t17-/m0/s1
InChIKeyFIQQUZGKIPZQNK-KRWDZBQOSA-N
XLogP0.90
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide with MolForge

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Related Compounds

N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-(2-phenylethyl)acetamide
CID 26321988
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95707080
N-ethyl-N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95723897
N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 45197561
N-methyl-N-(2-methylpropyl)-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95727903
methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate
CID 45237645
N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95711244
N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide
CID 56888360
N-(2-methylbutan-2-yl)-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 56915595
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95729853
N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95727195
2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 42305682

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide (CID 95717455) is N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide is CN(CC(C)(C)CO)C(=O)C[C@H]1C(=O)NCCN1CCc1ccccc1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide?
The InChIKey is FIQQUZGKIPZQNK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-20(2,15-24)14-22(3)18(25)13-17-19(26)21-10-12-23(17)11-9-16-7-5-4-6-8-16/h4-8,17,24H,9-15H2,1-3H3,(H,21,26)/t17-/m0/s1.
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide?
N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 95717455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).