N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide

C25H27N3O2 — CID 117082777

IUPACN-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)cn1
InChIInChI=1S/C25H27N3O2/c1-30-24-11-10-22(17-26-24)20-8-5-9-21(16-20)25(29)27-23-12-14-28(15-13-23)18-19-6-3-2-4-7-19/h2-11,16-17,23H,12-15,18H2,1H3,(H,27,29)
InChIKeyMEOBTZGDIFESPL-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.15
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide

N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 117082777) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide
PubChem CID117082777
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)cn1
InChIInChI=1S/C25H27N3O2/c1-30-24-11-10-22(17-26-24)20-8-5-9-21(16-20)25(29)27-23-12-14-28(15-13-23)18-19-6-3-2-4-7-19/h2-11,16-17,23H,12-15,18H2,1H3,(H,27,29)
InChIKeyMEOBTZGDIFESPL-UHFFFAOYSA-N
XLogP4.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide
CID 117092468
N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide
CID 164590008
methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate
CID 142738884
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 119058818
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-cyclopropyl-5-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 117086611
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523576

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide (CID 117082777) is N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)cn1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is MEOBTZGDIFESPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-30-24-11-10-22(17-26-24)20-8-5-9-21(16-20)25(29)27-23-12-14-28(15-13-23)18-19-6-3-2-4-7-19/h2-11,16-17,23H,12-15,18H2,1H3,(H,27,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide?
N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.15, 6 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-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 117082777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).