N-(1-benzylpiperidin-4-yl)-3-(quinolin-4-ylmethoxy)benzamide

C29H29N3O2 — CID 19762435

IUPACN-(1-benzylpiperidin-4-yl)-3-(quinolin-4-ylmethoxy)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(OCc2ccnc3ccccc23)c1
InChIInChI=1S/C29H29N3O2/c33-29(31-25-14-17-32(18-15-25)20-22-7-2-1-3-8-22)23-9-6-10-26(19-23)34-21-24-13-16-30-28-12-5-4-11-27(24)28/h1-13,16,19,25H,14-15,17-18,20-21H2,(H,31,33)
InChIKeyZQLODHDIZJFHSQ-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.21
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-3-(quinolin-4-ylmethoxy)benzamide

N-(1-benzylpiperidin-4-yl)-3-(quinolin-4-ylmethoxy)benzamide (PubChem CID 19762435) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(quinolin-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(quinolin-4-ylmethoxy)benzamide
PubChem CID19762435
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(quinolin-4-ylmethoxy)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(OCc2ccnc3ccccc23)c1
InChIInChI=1S/C29H29N3O2/c33-29(31-25-14-17-32(18-15-25)20-22-7-2-1-3-8-22)23-9-6-10-26(19-23)34-21-24-13-16-30-28-12-5-4-11-27(24)28/h1-13,16,19,25H,14-15,17-18,20-21H2,(H,31,33)
InChIKeyZQLODHDIZJFHSQ-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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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(quinolin-4-ylmethoxy)benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(quinolin-4-ylmethoxy)benzamide (CID 19762435) is N-(1-benzylpiperidin-4-yl)-3-(quinolin-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(quinolin-4-ylmethoxy)benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(quinolin-4-ylmethoxy)benzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(OCc2ccnc3ccccc23)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(quinolin-4-ylmethoxy)benzamide?
The InChIKey is ZQLODHDIZJFHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c33-29(31-25-14-17-32(18-15-25)20-22-7-2-1-3-8-22)23-9-6-10-26(19-23)34-21-24-13-16-30-28-12-5-4-11-27(24)28/h1-13,16,19,25H,14-15,17-18,20-21H2,(H,31,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(quinolin-4-ylmethoxy)benzamide?
N-(1-benzylpiperidin-4-yl)-3-(quinolin-4-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)-3-(quinolin-4-ylmethoxy)benzamide is sourced from PubChem (CID 19762435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).