1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one

C26H33N5O2 — CID 167890751

About 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one

1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 167890751) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one
• PubChem CID: 167890751
• Molecular Formula: C26H33N5O2
• Molecular Weight: 447.58 g/mol
• Exact Mass: 447.26
• IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one
• SMILES: CN(C)Cc1ccc(N2CCN(C(=O)C3CC(=O)N(c4ccc5c(c4)CCC5)C3)CC2)nc1
• InChI: InChI=1S/C26H33N5O2/c1-28(2)17-19-6-9-24(27-16-19)29-10-12-30(13-11-29)26(33)22-15-25(32)31(18-22)23-8-7-20-4-3-5-21(20)14-23/h6-9,14,16,22H,3-5,10-13,15,17-18H2,1-2H3
• InChIKey: KTYOYUGNUPJGMP-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 59.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.58
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one?

The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 167890751) is 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one.

What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one?

The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one is CN(C)Cc1ccc(N2CCN(C(=O)C3CC(=O)N(c4ccc5c(c4)CCC5)C3)CC2)nc1.

What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one?

The InChIKey is KTYOYUGNUPJGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-28(2)17-19-6-9-24(27-16-19)29-10-12-30(13-11-29)26(33)22-15-25(32)31(18-22)23-8-7-20-4-3-5-21(20)14-23/h6-9,14,16,22H,3-5,10-13,15,17-18H2,1-2H3.

What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one?

1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 447.58 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 167890751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).