4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide

C25H34N4O3 — CID 86962306

IUPAC4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NC2CCN(Cc3ccccn3)CC2C)C(C)C)cc1
InChIInChI=1S/C25H34N4O3/c1-17(2)23(28-24(30)19-8-10-21(32-4)11-9-19)25(31)27-22-12-14-29(15-18(22)3)16-20-7-5-6-13-26-20/h5-11,13,17-18,22-23H,12,14-16H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyUALKLQWUBYNUMS-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.87
Rot. Bonds8

About 4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide

4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide (PubChem CID 86962306) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide
PubChem CID86962306
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NC2CCN(Cc3ccccn3)CC2C)C(C)C)cc1
InChIInChI=1S/C25H34N4O3/c1-17(2)23(28-24(30)19-8-10-21(32-4)11-9-19)25(31)27-22-12-14-29(15-18(22)3)16-20-7-5-6-13-26-20/h5-11,13,17-18,22-23H,12,14-16H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyUALKLQWUBYNUMS-UHFFFAOYSA-N
XLogP2.87
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide with MolForge

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Related Compounds

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1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea
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(3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
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CID 124732005
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N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide (CID 86962306) is 4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide is COc1ccc(C(=O)NC(C(=O)NC2CCN(Cc3ccccn3)CC2C)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide?
The InChIKey is UALKLQWUBYNUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-17(2)23(28-24(30)19-8-10-21(32-4)11-9-19)25(31)27-22-12-14-29(15-18(22)3)16-20-7-5-6-13-26-20/h5-11,13,17-18,22-23H,12,14-16H2,1-4H3,(H,27,31)(H,28,30).
What are the key properties of 4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide?
4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 438.57 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-methyl-1-[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 86962306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).