N-[1-(cyclooctylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide

C27H42N2O2 — CID 10598540

IUPACN-[1-(cyclooctylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1CCN(CC2CCCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C27H42N2O2/c30-26(27(31,24-15-9-10-16-24)23-13-7-4-8-14-23)28-25-17-19-29(20-18-25)21-22-11-5-2-1-3-6-12-22/h4,7-8,13-14,22,24-25,31H,1-3,5-6,9-12,15-21H2,(H,28,30)
InChIKeyRMIVAAULYORDDZ-UHFFFAOYSA-N
MW426.65 g/mol
LogP5.01
Rot. Bonds6

About N-[1-(cyclooctylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide

N-[1-(cyclooctylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide (PubChem CID 10598540) has the molecular formula C27H42N2O2 and a molecular weight of 426.65 g/mol. Its IUPAC name is N-[1-(cyclooctylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(cyclooctylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
PubChem CID10598540
Molecular FormulaC27H42N2O2
Molecular Weight426.65 g/mol
Exact Mass426.32
IUPAC NameN-[1-(cyclooctylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1CCN(CC2CCCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C27H42N2O2/c30-26(27(31,24-15-9-10-16-24)23-13-7-4-8-14-23)28-25-17-19-29(20-18-25)21-22-11-5-2-1-3-6-12-22/h4,7-8,13-14,22,24-25,31H,1-3,5-6,9-12,15-21H2,(H,28,30)
InChIKeyRMIVAAULYORDDZ-UHFFFAOYSA-N
XLogP5.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.65
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(cyclooctylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclooctylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[1-(cyclooctylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide (CID 10598540) is N-[1-(cyclooctylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[1-(cyclooctylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[1-(cyclooctylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide is O=C(NC1CCN(CC2CCCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of N-[1-(cyclooctylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
The InChIKey is RMIVAAULYORDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N2O2/c30-26(27(31,24-15-9-10-16-24)23-13-7-4-8-14-23)28-25-17-19-29(20-18-25)21-22-11-5-2-1-3-6-12-22/h4,7-8,13-14,22,24-25,31H,1-3,5-6,9-12,15-21H2,(H,28,30).
What are the key properties of N-[1-(cyclooctylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
N-[1-(cyclooctylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide has a molecular weight of 426.65 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclooctylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 10598540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).