2-cyclopentyl-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide

C25H33N3O2 — CID 10573458

IUPAC2-cyclopentyl-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide
SMILESCc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1
InChIInChI=1S/C25H33N3O2/c1-19-8-7-13-23(26-19)18-28-16-14-22(15-17-28)27-24(29)25(30,21-11-5-6-12-21)20-9-3-2-4-10-20/h2-4,7-10,13,21-22,30H,5-6,11-12,14-18H2,1H3,(H,27,29)
InChIKeyFFERIMSSXPDFOU-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.55
Rot. Bonds6

About 2-cyclopentyl-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide

2-cyclopentyl-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 10573458) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-cyclopentyl-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide
PubChem CID10573458
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name2-cyclopentyl-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide
SMILESCc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1
InChIInChI=1S/C25H33N3O2/c1-19-8-7-13-23(26-19)18-28-16-14-22(15-17-28)27-24(29)25(30,21-11-5-6-12-21)20-9-3-2-4-10-20/h2-4,7-10,13,21-22,30H,5-6,11-12,14-18H2,1H3,(H,27,29)
InChIKeyFFERIMSSXPDFOU-UHFFFAOYSA-N
XLogP3.55
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of 2-cyclopentyl-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide (CID 10573458) is 2-cyclopentyl-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for 2-cyclopentyl-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for 2-cyclopentyl-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide is Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1.
What is the InChIKey of 2-cyclopentyl-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The InChIKey is FFERIMSSXPDFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-19-8-7-13-23(26-19)18-28-16-14-22(15-17-28)27-24(29)25(30,21-11-5-6-12-21)20-9-3-2-4-10-20/h2-4,7-10,13,21-22,30H,5-6,11-12,14-18H2,1H3,(H,27,29).
What are the key properties of 2-cyclopentyl-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide?
2-cyclopentyl-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 407.56 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 10573458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).