7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine

C26H29N3 — CID 164880666

IUPAC7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine
SMILESc1ccc(C(c2ccccc2)N2CCC(N3CCc4cccnc4C3)CC2)cc1
InChIInChI=1S/C26H29N3/c1-3-8-22(9-4-1)26(23-10-5-2-6-11-23)28-18-14-24(15-19-28)29-17-13-21-12-7-16-27-25(21)20-29/h1-12,16,24,26H,13-15,17-20H2
InChIKeySXBPOGNCIKVREL-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.69
Rot. Bonds4

About 7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine

7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine (PubChem CID 164880666) has the molecular formula C26H29N3 and a molecular weight of 383.54 g/mol. Its IUPAC name is 7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine.

Molecular Properties

Compound Name7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine
PubChem CID164880666
Molecular FormulaC26H29N3
Molecular Weight383.54 g/mol
Exact Mass383.24
IUPAC Name7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine
SMILESc1ccc(C(c2ccccc2)N2CCC(N3CCc4cccnc4C3)CC2)cc1
InChIInChI=1S/C26H29N3/c1-3-8-22(9-4-1)26(23-10-5-2-6-11-23)28-18-14-24(15-19-28)29-17-13-21-12-7-16-27-25(21)20-29/h1-12,16,24,26H,13-15,17-20H2
InChIKeySXBPOGNCIKVREL-UHFFFAOYSA-N
XLogP4.69
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine?
The IUPAC name of 7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine (CID 164880666) is 7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine.
What is the SMILES notation for 7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine?
The canonical SMILES for 7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine is c1ccc(C(c2ccccc2)N2CCC(N3CCc4cccnc4C3)CC2)cc1.
What is the InChIKey of 7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine?
The InChIKey is SXBPOGNCIKVREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3/c1-3-8-22(9-4-1)26(23-10-5-2-6-11-23)28-18-14-24(15-19-28)29-17-13-21-12-7-16-27-25(21)20-29/h1-12,16,24,26H,13-15,17-20H2.
What are the key properties of 7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine?
7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine has a molecular weight of 383.54 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine is sourced from PubChem (CID 164880666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).