N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide

C18H29N5O2 — CID 25455154

IUPACN-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCC(C)=CCN1CCNC(=O)[C@H]1CC(=O)N(C)CCc1cnn(C)c1
InChIInChI=1S/C18H29N5O2/c1-14(2)5-9-23-10-7-19-18(25)16(23)11-17(24)21(3)8-6-15-12-20-22(4)13-15/h5,12-13,16H,6-11H2,1-4H3,(H,19,25)/t16-/m1/s1
InChIKeyJUCCVONTCLOKEJ-MRXNPFEDSA-N
MW347.46 g/mol
LogP0.58
Rot. Bonds7

About N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide

N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide (PubChem CID 25455154) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
PubChem CID25455154
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCC(C)=CCN1CCNC(=O)[C@H]1CC(=O)N(C)CCc1cnn(C)c1
InChIInChI=1S/C18H29N5O2/c1-14(2)5-9-23-10-7-19-18(25)16(23)11-17(24)21(3)8-6-15-12-20-22(4)13-15/h5,12-13,16H,6-11H2,1-4H3,(H,19,25)/t16-/m1/s1
InChIKeyJUCCVONTCLOKEJ-MRXNPFEDSA-N
XLogP0.58
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 25375478
N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-(2-phenylethyl)acetamide
CID 26321988
N-ethyl-2-[(2S)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 26319976
2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 45169642
2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 91828312
N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95717455
2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 45252843
N-ethyl-N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95723897
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45221315
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
CID 45171750
N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728025
2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 25375269

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide (CID 25455154) is N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide is CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)N(C)CCc1cnn(C)c1.
What is the InChIKey of N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is JUCCVONTCLOKEJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14(2)5-9-23-10-7-19-18(25)16(23)11-17(24)21(3)8-6-15-12-20-22(4)13-15/h5,12-13,16H,6-11H2,1-4H3,(H,19,25)/t16-/m1/s1.
What are the key properties of N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 25455154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).