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

C26H40N2O2 — CID 10835518

IUPACN-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1CCN(CC2CCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C26H40N2O2/c29-25(26(30,23-14-8-9-15-23)22-12-6-3-7-13-22)27-24-16-18-28(19-17-24)20-21-10-4-1-2-5-11-21/h3,6-7,12-13,21,23-24,30H,1-2,4-5,8-11,14-20H2,(H,27,29)
InChIKeyOJFDFZDJBGCLLL-UHFFFAOYSA-N
MW412.62 g/mol
LogP4.62
Rot. Bonds6

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

N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide (PubChem CID 10835518) has the molecular formula C26H40N2O2 and a molecular weight of 412.62 g/mol. Its IUPAC name is N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
PubChem CID10835518
Molecular FormulaC26H40N2O2
Molecular Weight412.62 g/mol
Exact Mass412.31
IUPAC NameN-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1CCN(CC2CCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C26H40N2O2/c29-25(26(30,23-14-8-9-15-23)22-12-6-3-7-13-22)27-24-16-18-28(19-17-24)20-21-10-4-1-2-5-11-21/h3,6-7,12-13,21,23-24,30H,1-2,4-5,8-11,14-20H2,(H,27,29)
InChIKeyOJFDFZDJBGCLLL-UHFFFAOYSA-N
XLogP4.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide (CID 10835518) is N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide is O=C(NC1CCN(CC2CCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
The InChIKey is OJFDFZDJBGCLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O2/c29-25(26(30,23-14-8-9-15-23)22-12-6-3-7-13-22)27-24-16-18-28(19-17-24)20-21-10-4-1-2-5-11-21/h3,6-7,12-13,21,23-24,30H,1-2,4-5,8-11,14-20H2,(H,27,29).
What are the key properties of N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide has a molecular weight of 412.62 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 10835518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).