N-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide

C29H29N3O2 — CID 19762442

IUPACN-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1OCc1ccc2ccccc2n1
InChIInChI=1S/C29H29N3O2/c33-29(31-24-16-18-32(19-17-24)20-22-8-2-1-3-9-22)26-11-5-7-13-28(26)34-21-25-15-14-23-10-4-6-12-27(23)30-25/h1-15,24H,16-21H2,(H,31,33)
InChIKeyFEEBAOMYXNEHJW-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.21
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide

N-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide (PubChem CID 19762442) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide
PubChem CID19762442
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1OCc1ccc2ccccc2n1
InChIInChI=1S/C29H29N3O2/c33-29(31-24-16-18-32(19-17-24)20-22-8-2-1-3-9-22)26-11-5-7-13-28(26)34-21-25-15-14-23-10-4-6-12-27(23)30-25/h1-15,24H,16-21H2,(H,31,33)
InChIKeyFEEBAOMYXNEHJW-UHFFFAOYSA-N
XLogP5.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
CID 110451979
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide
CID 154225250
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid
CID 154457782
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide
CID 58730731
N-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 42227002
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide
CID 175019852
(2R)-N-cyclopropyl-2-hydroxy-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
CID 129489272

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide (CID 19762442) is N-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1OCc1ccc2ccccc2n1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide?
The InChIKey is FEEBAOMYXNEHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c33-29(31-24-16-18-32(19-17-24)20-22-8-2-1-3-9-22)26-11-5-7-13-28(26)34-21-25-15-14-23-10-4-6-12-27(23)30-25/h1-15,24H,16-21H2,(H,31,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide?
N-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide has a molecular weight of 451.57 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide is sourced from PubChem (CID 19762442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).