N-benzyl-2-phenyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]acetamide

C30H31N3O2 — CID 15341045

IUPACN-benzyl-2-phenyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]acetamide
SMILESO=C(NCc1ccccc1)C(c1ccccc1)N1CCC(OCc2ccc3ccccc3n2)CC1
InChIInChI=1S/C30H31N3O2/c34-30(31-21-23-9-3-1-4-10-23)29(25-12-5-2-6-13-25)33-19-17-27(18-20-33)35-22-26-16-15-24-11-7-8-14-28(24)32-26/h1-16,27,29H,17-22H2,(H,31,34)
InChIKeyBSXBUWAFEPOLAT-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.27
Rot. Bonds8

About N-benzyl-2-phenyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]acetamide

N-benzyl-2-phenyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]acetamide (PubChem CID 15341045) has the molecular formula C30H31N3O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-benzyl-2-phenyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-phenyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]acetamide
PubChem CID15341045
Molecular FormulaC30H31N3O2
Molecular Weight465.60 g/mol
Exact Mass465.24
IUPAC NameN-benzyl-2-phenyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]acetamide
SMILESO=C(NCc1ccccc1)C(c1ccccc1)N1CCC(OCc2ccc3ccccc3n2)CC1
InChIInChI=1S/C30H31N3O2/c34-30(31-21-23-9-3-1-4-10-23)29(25-12-5-2-6-13-25)33-19-17-27(18-20-33)35-22-26-16-15-24-11-7-8-14-28(24)32-26/h1-16,27,29H,17-22H2,(H,31,34)
InChIKeyBSXBUWAFEPOLAT-UHFFFAOYSA-N
XLogP5.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-phenyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]acetamide (CID 15341045) is N-benzyl-2-phenyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-phenyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-phenyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]acetamide is O=C(NCc1ccccc1)C(c1ccccc1)N1CCC(OCc2ccc3ccccc3n2)CC1.
What is the InChIKey of N-benzyl-2-phenyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]acetamide?
The InChIKey is BSXBUWAFEPOLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O2/c34-30(31-21-23-9-3-1-4-10-23)29(25-12-5-2-6-13-25)33-19-17-27(18-20-33)35-22-26-16-15-24-11-7-8-14-28(24)32-26/h1-16,27,29H,17-22H2,(H,31,34).
What are the key properties of N-benzyl-2-phenyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]acetamide?
N-benzyl-2-phenyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]acetamide has a molecular weight of 465.60 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]acetamide is sourced from PubChem (CID 15341045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).