N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-(1,2-oxazol-5-yl)acetamide

C23H37N3O3 — CID 18922155

IUPACN-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-(1,2-oxazol-5-yl)acetamide
SMILESO=C(NC1CCN(CC2CCCCCC2)CC1)C(O)(c1ccno1)C1CCCC1
InChIInChI=1S/C23H37N3O3/c27-22(23(28,19-9-5-6-10-19)21-11-14-24-29-21)25-20-12-15-26(16-13-20)17-18-7-3-1-2-4-8-18/h11,14,18-20,28H,1-10,12-13,15-17H2,(H,25,27)
InChIKeyQRUSTWDJMBZBKA-UHFFFAOYSA-N
MW403.57 g/mol
LogP3.60
Rot. Bonds6

About N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-(1,2-oxazol-5-yl)acetamide

N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-(1,2-oxazol-5-yl)acetamide (PubChem CID 18922155) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-(1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-(1,2-oxazol-5-yl)acetamide
PubChem CID18922155
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC NameN-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-(1,2-oxazol-5-yl)acetamide
SMILESO=C(NC1CCN(CC2CCCCCC2)CC1)C(O)(c1ccno1)C1CCCC1
InChIInChI=1S/C23H37N3O3/c27-22(23(28,19-9-5-6-10-19)21-11-14-24-29-21)25-20-12-15-26(16-13-20)17-18-7-3-1-2-4-8-18/h11,14,18-20,28H,1-10,12-13,15-17H2,(H,25,27)
InChIKeyQRUSTWDJMBZBKA-UHFFFAOYSA-N
XLogP3.60
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-(1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-(1,2-oxazol-5-yl)acetamide (CID 18922155) is N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-(1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-(1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-(1,2-oxazol-5-yl)acetamide is O=C(NC1CCN(CC2CCCCCC2)CC1)C(O)(c1ccno1)C1CCCC1.
What is the InChIKey of N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-(1,2-oxazol-5-yl)acetamide?
The InChIKey is QRUSTWDJMBZBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3/c27-22(23(28,19-9-5-6-10-19)21-11-14-24-29-21)25-20-12-15-26(16-13-20)17-18-7-3-1-2-4-8-18/h11,14,18-20,28H,1-10,12-13,15-17H2,(H,25,27).
What are the key properties of N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-(1,2-oxazol-5-yl)acetamide?
N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-(1,2-oxazol-5-yl)acetamide has a molecular weight of 403.57 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-(1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 18922155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).