1-cyclopentyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]piperidine-2-carboxamide

C21H27N5O4 — CID 167915311

About 1-cyclopentyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]piperidine-2-carboxamide

1-cyclopentyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]piperidine-2-carboxamide (PubChem CID 167915311) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]piperidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-cyclopentyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]piperidine-2-carboxamide
• PubChem CID: 167915311
• Molecular Formula: C21H27N5O4
• Molecular Weight: 413.48 g/mol
• Exact Mass: 413.21
• IUPAC Name: 1-cyclopentyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]piperidine-2-carboxamide
• SMILES: O=C(CNC(=O)C1CCCCN1C1CCCC1)Nc1cccc2c(=O)[nH][nH]c(=O)c12
• InChI: InChI=1S/C21H27N5O4/c27-17(23-15-9-5-8-14-18(15)21(30)25-24-19(14)28)12-22-20(29)16-10-3-4-11-26(16)13-6-1-2-7-13/h5,8-9,13,16H,1-4,6-7,10-12H2,(H,22,29)(H,23,27)(H,24,28)(H,25,30)
• InChIKey: ZXXUHRXUPBZZGY-UHFFFAOYSA-N
• XLogP: 1.07
• TPSA: 127.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.48
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]piperidine-2-carboxamide?

The IUPAC name of 1-cyclopentyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]piperidine-2-carboxamide (CID 167915311) is 1-cyclopentyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]piperidine-2-carboxamide.

What is the SMILES notation for 1-cyclopentyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]piperidine-2-carboxamide?

The canonical SMILES for 1-cyclopentyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]piperidine-2-carboxamide is O=C(CNC(=O)C1CCCCN1C1CCCC1)Nc1cccc2c(=O)[nH][nH]c(=O)c12.

What is the InChIKey of 1-cyclopentyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]piperidine-2-carboxamide?

The InChIKey is ZXXUHRXUPBZZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c27-17(23-15-9-5-8-14-18(15)21(30)25-24-19(14)28)12-22-20(29)16-10-3-4-11-26(16)13-6-1-2-7-13/h5,8-9,13,16H,1-4,6-7,10-12H2,(H,22,29)(H,23,27)(H,24,28)(H,25,30).

What are the key properties of 1-cyclopentyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]piperidine-2-carboxamide?

1-cyclopentyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]piperidine-2-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 1.07, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]piperidine-2-carboxamide is sourced from PubChem (CID 167915311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).