2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide

C17H24N6O3 — CID 56882562

IUPAC2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCCn1cnnc1CNC(=O)CC1C(=O)NCCN1Cc1ccoc1
InChIInChI=1S/C17H24N6O3/c1-2-5-23-12-20-21-15(23)9-19-16(24)8-14-17(25)18-4-6-22(14)10-13-3-7-26-11-13/h3,7,11-12,14H,2,4-6,8-10H2,1H3,(H,18,25)(H,19,24)
InChIKeyKYMVCGKAFTWIEV-UHFFFAOYSA-N
MW360.42 g/mol
LogP0.29
Rot. Bonds8

About 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide

2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 56882562) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID56882562
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCCn1cnnc1CNC(=O)CC1C(=O)NCCN1Cc1ccoc1
InChIInChI=1S/C17H24N6O3/c1-2-5-23-12-20-21-15(23)9-19-16(24)8-14-17(25)18-4-6-22(14)10-13-3-7-26-11-13/h3,7,11-12,14H,2,4-6,8-10H2,1H3,(H,18,25)(H,19,24)
InChIKeyKYMVCGKAFTWIEV-UHFFFAOYSA-N
XLogP0.29
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide with MolForge

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Related Compounds

N'-(5-ethyl-1-methyl-1H-1,2,4-triazol-3-yl)-N-(3-furylmethyl)-N-methylurea
CID 28735668
3-(1,5-Dimethyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea
CID 46995560
(3-furylmethyl)[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methylamine
CID 50950790
furan-3-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 84594381
N~3~-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-furamide
CID 47228598
1-(3-furylmethyl)-4-(4-isopropyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192568
1-(Furan-3-carbonyl)-4-[4-(propan-2-YL)-4H-1,2,4-triazol-3-YL]piperidine
CID 53192605
1-(3-furylmethyl)-3-(4-propyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192761
2-[1-(3-furylmethyl)-3-oxo-2-piperazinyl]-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide
CID 56901730
2-[1-(3-furylmethyl)-3-oxo-2-piperazinyl]-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 56902419
2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-(3-furylmethyl)piperidine
CID 87052202
1-(3-furylmethyl)-2-(4-propyl-4H-1,2,4-triazol-3-yl)piperidine
CID 91653888

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 56882562) is 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide is CCCn1cnnc1CNC(=O)CC1C(=O)NCCN1Cc1ccoc1.
What is the InChIKey of 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is KYMVCGKAFTWIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-2-5-23-12-20-21-15(23)9-19-16(24)8-14-17(25)18-4-6-22(14)10-13-3-7-26-11-13/h3,7,11-12,14H,2,4-6,8-10H2,1H3,(H,18,25)(H,19,24).
What are the key properties of 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 360.42 g/mol, XLogP of 0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 56882562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).