(4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone

C25H26N4O3 — CID 91949327

IUPAC(4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone
SMILESO=C(c1ccco1)N1Cc2cccnc2C(C(=O)N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C25H26N4O3/c30-24(28-13-11-27(12-14-28)16-19-6-2-1-3-7-19)21-18-29(25(31)22-9-5-15-32-22)17-20-8-4-10-26-23(20)21/h1-10,15,21H,11-14,16-18H2
InChIKeyUBECOCIKHLOWLC-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.76
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone

(4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone (PubChem CID 91949327) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone
PubChem CID91949327
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name(4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone
SMILESO=C(c1ccco1)N1Cc2cccnc2C(C(=O)N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C25H26N4O3/c30-24(28-13-11-27(12-14-28)16-19-6-2-1-3-7-19)21-18-29(25(31)22-9-5-15-32-22)17-20-8-4-10-26-23(20)21/h1-10,15,21H,11-14,16-18H2
InChIKeyUBECOCIKHLOWLC-UHFFFAOYSA-N
XLogP2.76
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949424
(4-benzylpiperazin-1-yl)-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone
CID 43008282
6-(furan-2-carbonyl)-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949384
6-(furan-2-carbonyl)-N-(3-indazol-2-ylpropyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949338
N-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949351
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
(4-benzylpiperazin-1-yl)-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55973734
furan-2-yl-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155971462
[(3aR,6aR)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(furan-2-yl)methanone
CID 97376848
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-(furan-2-carbonyl)piperidin-3-yl]methanone
CID 43043371
(4-benzylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 113241095
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone (CID 91949327) is (4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone is O=C(c1ccco1)N1Cc2cccnc2C(C(=O)N2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone?
The InChIKey is UBECOCIKHLOWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-24(28-13-11-27(12-14-28)16-19-6-2-1-3-7-19)21-18-29(25(31)22-9-5-15-32-22)17-20-8-4-10-26-23(20)21/h1-10,15,21H,11-14,16-18H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone?
(4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone has a molecular weight of 430.51 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone is sourced from PubChem (CID 91949327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).