3-methoxy-N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide

C23H29N3O4 — CID 646400

IUPAC3-methoxy-N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(CC(=O)NCc3ccccc3OC)CC2)c1
InChIInChI=1S/C23H29N3O4/c1-29-20-8-5-7-17(14-20)23(28)25-19-10-12-26(13-11-19)16-22(27)24-15-18-6-3-4-9-21(18)30-2/h3-9,14,19H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeySLXMRJQZXMLCCQ-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.21
Rot. Bonds8

About 3-methoxy-N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide

3-methoxy-N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide (PubChem CID 646400) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 3-methoxy-N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
PubChem CID646400
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name3-methoxy-N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(CC(=O)NCc3ccccc3OC)CC2)c1
InChIInChI=1S/C23H29N3O4/c1-29-20-8-5-7-17(14-20)23(28)25-19-10-12-26(13-11-19)16-22(27)24-15-18-6-3-4-9-21(18)30-2/h3-9,14,19H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeySLXMRJQZXMLCCQ-UHFFFAOYSA-N
XLogP2.21
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Flecainide
CID 3356
Snc 80
CID 123924
PF-429242
CID 23661637
R-(-)-Flecainide
CID 6603850
2,3-Dimethoxy-N-(1-(4-fluorobenzyl)piperidin-4-yl)benzamide
CID 134002
2,3-Dimethoxy-N-(9-(4-fluorobenzyl)-9-azabicyclo(3.3.1)nonan-3-yl)benzamide
CID 23277137
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
N-(1-benzylpiperidin-4-yl)-3,5-dimethoxybenzamide
CID 14514271
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
GT-0198
CID 71584823
3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-benzamide
CID 11131951
N-(1-Benzylpiperidin-4-yl)-2,3-dimethoxybenzamide
CID 13314232

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide (CID 646400) is 3-methoxy-N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide is COc1cccc(C(=O)NC2CCN(CC(=O)NCc3ccccc3OC)CC2)c1.
What is the InChIKey of 3-methoxy-N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide?
The InChIKey is SLXMRJQZXMLCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-29-20-8-5-7-17(14-20)23(28)25-19-10-12-26(13-11-19)16-22(27)24-15-18-6-3-4-9-21(18)30-2/h3-9,14,19H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 3-methoxy-N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide?
3-methoxy-N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide has a molecular weight of 411.50 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 646400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).