[4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

C21H26N4O3 — CID 109238559

IUPAC[4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cncc(N2CCCCCC2)c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H26N4O3/c26-20(17-14-18(16-22-15-17)23-7-3-1-2-4-8-23)24-9-11-25(12-10-24)21(27)19-6-5-13-28-19/h5-6,13-16H,1-4,7-12H2
InChIKeyKYMJACKRNZQFBQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.65
Rot. Bonds3

About [4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 109238559) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is [4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID109238559
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name[4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cncc(N2CCCCCC2)c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H26N4O3/c26-20(17-14-18(16-22-15-17)23-7-3-1-2-4-8-23)24-9-11-25(12-10-24)21(27)19-6-5-13-28-19/h5-6,13-16H,1-4,7-12H2
InChIKeyKYMJACKRNZQFBQ-UHFFFAOYSA-N
XLogP2.65
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone
CID 109230109
(4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226454
N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109224407
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109238550
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
(4-ethylpiperazin-1-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 109225700
[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226329
furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone
CID 109203676
[5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226310
3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226477
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410

Frequently Asked Questions

What is the IUPAC name of [4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 109238559) is [4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1cncc(N2CCCCCC2)c1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is KYMJACKRNZQFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-20(17-14-18(16-22-15-17)23-7-3-1-2-4-8-23)24-9-11-25(12-10-24)21(27)19-6-5-13-28-19/h5-6,13-16H,1-4,7-12H2.
What are the key properties of [4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 382.46 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 109238559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).