2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide

C24H31N3O2 — CID 10572658

IUPAC2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C24H31N3O2/c28-23(24(29,21-8-4-5-9-21)20-6-2-1-3-7-20)26-22-12-16-27(17-13-22)18-19-10-14-25-15-11-19/h1-3,6-7,10-11,14-15,21-22,29H,4-5,8-9,12-13,16-18H2,(H,26,28)
InChIKeyODALTOXTLZKACI-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.24
Rot. Bonds6

About 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide

2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 10572658) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
PubChem CID10572658
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C24H31N3O2/c28-23(24(29,21-8-4-5-9-21)20-6-2-1-3-7-20)26-22-12-16-27(17-13-22)18-19-10-14-25-15-11-19/h1-3,6-7,10-11,14-15,21-22,29H,4-5,8-9,12-13,16-18H2,(H,26,28)
InChIKeyODALTOXTLZKACI-UHFFFAOYSA-N
XLogP3.24
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.24
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-2-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide (CID 10572658) is 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide is O=C(NC1CCN(Cc2ccncc2)CC1)C(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is ODALTOXTLZKACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c28-23(24(29,21-8-4-5-9-21)20-6-2-1-3-7-20)26-22-12-16-27(17-13-22)18-19-10-14-25-15-11-19/h1-3,6-7,10-11,14-15,21-22,29H,4-5,8-9,12-13,16-18H2,(H,26,28).
What are the key properties of 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.24, 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-2-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 10572658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).