N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide

C18H31N5O2 — CID 95727042

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide
SMILESCCCN(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCCN1CC(C)C
InChIInChI=1S/C18H31N5O2/c1-5-8-23(13-16-19-6-9-21(16)4)17(24)11-15-18(25)20-7-10-22(15)12-14(2)3/h6,9,14-15H,5,7-8,10-13H2,1-4H3,(H,20,25)/t15-/m1/s1
InChIKeyHGICWWAJPMMCSO-OAHLLOKOSA-N
MW349.48 g/mol
LogP1.01
Rot. Bonds8

About N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide

N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide (PubChem CID 95727042) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide
PubChem CID95727042
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide
SMILESCCCN(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCCN1CC(C)C
InChIInChI=1S/C18H31N5O2/c1-5-8-23(13-16-19-6-9-21(16)4)17(24)11-15-18(25)20-7-10-22(15)12-14(2)3/h6,9,14-15H,5,7-8,10-13H2,1-4H3,(H,20,25)/t15-/m1/s1
InChIKeyHGICWWAJPMMCSO-OAHLLOKOSA-N
XLogP1.01
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 56905165
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 56915849
2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide
CID 45247520
3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide
CID 47000347
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propyl-N-(pyridin-4-ylmethyl)acetamide
CID 56912099
N-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide
CID 50950533
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide
CID 56896629
N-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide
CID 95714500
2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide
CID 72843385
N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide
CID 126425206
N-ethyl-2-[(2S)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 26319976
N-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide
CID 72902277

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide (CID 95727042) is N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide is CCCN(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCCN1CC(C)C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide?
The InChIKey is HGICWWAJPMMCSO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-5-8-23(13-16-19-6-9-21(16)4)17(24)11-15-18(25)20-7-10-22(15)12-14(2)3/h6,9,14-15H,5,7-8,10-13H2,1-4H3,(H,20,25)/t15-/m1/s1.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide?
N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide has a molecular weight of 349.48 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide is sourced from PubChem (CID 95727042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).