N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

C19H26N6O3 — CID 56742072

About N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 56742072) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
• PubChem CID: 56742072
• Molecular Formula: C19H26N6O3
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.21
• IUPAC Name: N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
• SMILES: O=C(Nc1ccnn1C1CCN(Cc2cc(=O)[nH]c(=O)[nH]2)CC1)C1CCCC1
• InChI: InChI=1S/C19H26N6O3/c26-17-11-14(21-19(28)23-17)12-24-9-6-15(7-10-24)25-16(5-8-20-25)22-18(27)13-3-1-2-4-13/h5,8,11,13,15H,1-4,6-7,9-10,12H2,(H,22,27)(H2,21,23,26,28)
• InChIKey: LBISTBKIQPPQHF-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 115.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?

The IUPAC name of N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 56742072) is N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

What is the SMILES notation for N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?

The canonical SMILES for N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is O=C(Nc1ccnn1C1CCN(Cc2cc(=O)[nH]c(=O)[nH]2)CC1)C1CCCC1.

What is the InChIKey of N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?

The InChIKey is LBISTBKIQPPQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c26-17-11-14(21-19(28)23-17)12-24-9-6-15(7-10-24)25-16(5-8-20-25)22-18(27)13-3-1-2-4-13/h5,8,11,13,15H,1-4,6-7,9-10,12H2,(H,22,27)(H2,21,23,26,28).

What are the key properties of N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?

N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 386.46 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 56742072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).