N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide

C21H31N3O3 — CID 95707080

IUPACN-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
SMILESCN(CC1(CO)CCC1)C(=O)C[C@@H]1C(=O)NCCN1CCc1ccccc1
InChIInChI=1S/C21H31N3O3/c1-23(15-21(16-25)9-5-10-21)19(26)14-18-20(27)22-11-13-24(18)12-8-17-6-3-2-4-7-17/h2-4,6-7,18,25H,5,8-16H2,1H3,(H,22,27)/t18-/m1/s1
InChIKeyNGTSIYDQLYOIMT-GOSISDBHSA-N
MW373.50 g/mol
LogP1.04
Rot. Bonds8

About N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide

N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide (PubChem CID 95707080) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
PubChem CID95707080
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
SMILESCN(CC1(CO)CCC1)C(=O)C[C@@H]1C(=O)NCCN1CCc1ccccc1
InChIInChI=1S/C21H31N3O3/c1-23(15-21(16-25)9-5-10-21)19(26)14-18-20(27)22-11-13-24(18)12-8-17-6-3-2-4-7-17/h2-4,6-7,18,25H,5,8-16H2,1H3,(H,22,27)/t18-/m1/s1
InChIKeyNGTSIYDQLYOIMT-GOSISDBHSA-N
XLogP1.04
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95717455
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
CID 95718298
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
methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate
CID 45237645
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
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
2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide
CID 56912365
N-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 56911904
N-cyclopentyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 45180827

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide (CID 95707080) is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide is CN(CC1(CO)CCC1)C(=O)C[C@@H]1C(=O)NCCN1CCc1ccccc1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide?
The InChIKey is NGTSIYDQLYOIMT-GOSISDBHSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-23(15-21(16-25)9-5-10-21)19(26)14-18-20(27)22-11-13-24(18)12-8-17-6-3-2-4-7-17/h2-4,6-7,18,25H,5,8-16H2,1H3,(H,22,27)/t18-/m1/s1.
What are the key properties of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide?
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 95707080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).