5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one

C27H29N3O3 — CID 69314809

IUPAC5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one
SMILESCN(C)CC(=O)N1CCC(c2cc(-c3ccc4c(c3)CCC4=O)c(-c3ccncc3)o2)CC1
InChIInChI=1S/C27H29N3O3/c1-29(2)17-26(32)30-13-9-18(10-14-30)25-16-23(27(33-25)19-7-11-28-12-8-19)21-3-5-22-20(15-21)4-6-24(22)31/h3,5,7-8,11-12,15-16,18H,4,6,9-10,13-14,17H2,1-2H3
InChIKeyXJDXDIMGRWWTBQ-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.41
Rot. Bonds5

About 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one

5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one (PubChem CID 69314809) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one
PubChem CID69314809
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one
SMILESCN(C)CC(=O)N1CCC(c2cc(-c3ccc4c(c3)CCC4=O)c(-c3ccncc3)o2)CC1
InChIInChI=1S/C27H29N3O3/c1-29(2)17-26(32)30-13-9-18(10-14-30)25-16-23(27(33-25)19-7-11-28-12-8-19)21-3-5-22-20(15-21)4-6-24(22)31/h3,5,7-8,11-12,15-16,18H,4,6,9-10,13-14,17H2,1-2H3
InChIKeyXJDXDIMGRWWTBQ-UHFFFAOYSA-N
XLogP4.41
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one?
The IUPAC name of 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one (CID 69314809) is 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one is CN(C)CC(=O)N1CCC(c2cc(-c3ccc4c(c3)CCC4=O)c(-c3ccncc3)o2)CC1.
What is the InChIKey of 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one?
The InChIKey is XJDXDIMGRWWTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-29(2)17-26(32)30-13-9-18(10-14-30)25-16-23(27(33-25)19-7-11-28-12-8-19)21-3-5-22-20(15-21)4-6-24(22)31/h3,5,7-8,11-12,15-16,18H,4,6,9-10,13-14,17H2,1-2H3.
What are the key properties of 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one?
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one has a molecular weight of 443.55 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 69314809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).