(2-ethylcyclopropyl)-[2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C27H37N3O2 — CID 174201055

About (2-ethylcyclopropyl)-[2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(2-ethylcyclopropyl)-[2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 174201055) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is (2-ethylcyclopropyl)-[2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-ethylcyclopropyl)-[2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
• PubChem CID: 174201055
• Molecular Formula: C27H37N3O2
• Molecular Weight: 435.61 g/mol
• Exact Mass: 435.29
• IUPAC Name: (2-ethylcyclopropyl)-[2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
• SMILES: CCC1CC1C(=O)N1CCCC(c2ccn[nH]2)C1COC1CCC(c2ccccc2)CC1
• InChI: InChI=1S/C27H37N3O2/c1-2-19-17-24(19)27(31)30-16-6-9-23(25-14-15-28-29-25)26(30)18-32-22-12-10-21(11-13-22)20-7-4-3-5-8-20/h3-5,7-8,14-15,19,21-24,26H,2,6,9-13,16-18H2,1H3,(H,28,29)
• InChIKey: OBFGATBCIKUMIA-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 58.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.61
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclopropyl)-[2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The IUPAC name of (2-ethylcyclopropyl)-[2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 174201055) is (2-ethylcyclopropyl)-[2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

What is the SMILES notation for (2-ethylcyclopropyl)-[2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The canonical SMILES for (2-ethylcyclopropyl)-[2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is CCC1CC1C(=O)N1CCCC(c2ccn[nH]2)C1COC1CCC(c2ccccc2)CC1.

What is the InChIKey of (2-ethylcyclopropyl)-[2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The InChIKey is OBFGATBCIKUMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-2-19-17-24(19)27(31)30-16-6-9-23(25-14-15-28-29-25)26(30)18-32-22-12-10-21(11-13-22)20-7-4-3-5-8-20/h3-5,7-8,14-15,19,21-24,26H,2,6,9-13,16-18H2,1H3,(H,28,29).

What are the key properties of (2-ethylcyclopropyl)-[2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?

(2-ethylcyclopropyl)-[2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 435.61 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2-ethylcyclopropyl)-[2-[(4-phenylcyclohexyl)oxymethyl]-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 174201055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).