N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide

C28H34N4O2 — CID 36672610

About N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide

N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide (PubChem CID 36672610) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
• PubChem CID: 36672610
• Molecular Formula: C28H34N4O2
• Molecular Weight: 458.61 g/mol
• Exact Mass: 458.27
• IUPAC Name: N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
• SMILES: O=C(CN1CCC([C@H](O)c2ccccc2)CC1)Nc1cc(C2CCCC2)nn1-c1ccccc1
• InChI: InChI=1S/C28H34N4O2/c33-27(20-31-17-15-23(16-18-31)28(34)22-11-3-1-4-12-22)29-26-19-25(21-9-7-8-10-21)30-32(26)24-13-5-2-6-14-24/h1-6,11-14,19,21,23,28,34H,7-10,15-18,20H2,(H,29,33)/t28-/m1/s1
• InChIKey: LSDQQLCYVJGSFX-MUUNZHRXSA-N
• XLogP: 4.91
• TPSA: 70.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.61
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide?

The IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide (CID 36672610) is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide.

What is the SMILES notation for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide?

The canonical SMILES for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide is O=C(CN1CCC([C@H](O)c2ccccc2)CC1)Nc1cc(C2CCCC2)nn1-c1ccccc1.

What is the InChIKey of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide?

The InChIKey is LSDQQLCYVJGSFX-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H34N4O2/c33-27(20-31-17-15-23(16-18-31)28(34)22-11-3-1-4-12-22)29-26-19-25(21-9-7-8-10-21)30-32(26)24-13-5-2-6-14-24/h1-6,11-14,19,21,23,28,34H,7-10,15-18,20H2,(H,29,33)/t28-/m1/s1.

What are the key properties of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide?

N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide has a molecular weight of 458.61 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 36672610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).