2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide

C18H26N6O3 — CID 95718993

IUPAC2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCCn1cnnc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C)o1
InChIInChI=1S/C18H26N6O3/c1-3-7-24-12-21-22-16(24)10-20-17(25)9-15-18(26)19-6-8-23(15)11-14-5-4-13(2)27-14/h4-5,12,15H,3,6-11H2,1-2H3,(H,19,26)(H,20,25)/t15-/m1/s1
InChIKeyIGDBFEJPBVBGGZ-OAHLLOKOSA-N
MW374.45 g/mol
LogP0.60
Rot. Bonds8

About 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide

2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 95718993) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID95718993
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCCn1cnnc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C)o1
InChIInChI=1S/C18H26N6O3/c1-3-7-24-12-21-22-16(24)10-20-17(25)9-15-18(26)19-6-8-23(15)11-14-5-4-13(2)27-14/h4-5,12,15H,3,6-11H2,1-2H3,(H,19,26)(H,20,25)/t15-/m1/s1
InChIKeyIGDBFEJPBVBGGZ-OAHLLOKOSA-N
XLogP0.60
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 124754979
2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 45196329
N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24791715
(3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one
CID 125159069
2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 126461871
N-methyl-2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 26321929
3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one
CID 45190532
(3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-[3-(1,3-thiazol-2-yl)azetidin-1-yl]ethyl]piperazin-2-one
CID 125176564
3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one
CID 119061653
4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]piperazin-2-one
CID 157013730
(3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one
CID 97433851
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 45178129

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 95718993) is 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide is CCCn1cnnc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C)o1.
What is the InChIKey of 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is IGDBFEJPBVBGGZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-3-7-24-12-21-22-16(24)10-20-17(25)9-15-18(26)19-6-8-23(15)11-14-5-4-13(2)27-14/h4-5,12,15H,3,6-11H2,1-2H3,(H,19,26)(H,20,25)/t15-/m1/s1.
What are the key properties of 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 374.45 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 95718993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).