[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone

C19H26N6O3 — CID 133344809

IUPAC[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESCOc1nc(N2CCCCCC2)nc(N2CCN(C(=O)c3ccoc3)CC2)n1
InChIInChI=1S/C19H26N6O3/c1-27-19-21-17(24-7-4-2-3-5-8-24)20-18(22-19)25-11-9-23(10-12-25)16(26)15-6-13-28-14-15/h6,13-14H,2-5,7-12H2,1H3
InChIKeyORDIGEQMZCMRPL-UHFFFAOYSA-N
MW386.46 g/mol
LogP1.82
Rot. Bonds4

About [4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone

[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 133344809) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is [4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID133344809
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESCOc1nc(N2CCCCCC2)nc(N2CCN(C(=O)c3ccoc3)CC2)n1
InChIInChI=1S/C19H26N6O3/c1-27-19-21-17(24-7-4-2-3-5-8-24)20-18(22-19)25-11-9-23(10-12-25)16(26)15-6-13-28-14-15/h6,13-14H,2-5,7-12H2,1H3
InChIKeyORDIGEQMZCMRPL-UHFFFAOYSA-N
XLogP1.82
TPSA87.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone with MolForge

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Related Compounds

N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]furan-3-carboxamide
CID 122253553
furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334677
furan-3-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343060
furan-3-yl-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 122346635
furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 47381052
[2-(azepan-1-yl)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109264955
[5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10320691
furan-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048919
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid
CID 122058843
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395
4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide
CID 729324
(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(furan-3-yl)methanone
CID 56819357

Frequently Asked Questions

What is the IUPAC name of [4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone (CID 133344809) is [4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone is COc1nc(N2CCCCCC2)nc(N2CCN(C(=O)c3ccoc3)CC2)n1.
What is the InChIKey of [4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is ORDIGEQMZCMRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-27-19-21-17(24-7-4-2-3-5-8-24)20-18(22-19)25-11-9-23(10-12-25)16(26)15-6-13-28-14-15/h6,13-14H,2-5,7-12H2,1H3.
What are the key properties of [4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone?
[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 386.46 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 133344809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).