N-[1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide

C22H26FN3O4 — CID 3220943

IUPACN-[1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide
SMILESCOc1cccc(OC)c1NC(=O)CN1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H26FN3O4/c1-29-18-7-4-8-19(30-2)21(18)25-20(27)14-26-11-9-17(10-12-26)24-22(28)15-5-3-6-16(23)13-15/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyGPBSZMHXJKXZSV-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.68
Rot. Bonds7

About N-[1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide

N-[1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide (PubChem CID 3220943) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide
PubChem CID3220943
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC NameN-[1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide
SMILESCOc1cccc(OC)c1NC(=O)CN1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H26FN3O4/c1-29-18-7-4-8-19(30-2)21(18)25-20(27)14-26-11-9-17(10-12-26)24-22(28)15-5-3-6-16(23)13-15/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyGPBSZMHXJKXZSV-UHFFFAOYSA-N
XLogP2.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzamide
CID 53326601
4-(3,5-dimethoxybenzoyl)-3,4-dihydro-2(1H)-quinoxalinone
CID 2420253
1-(4-Fluorophenyl)-2-(4-(2-methoxyphenyl)-1-piperazinyl)ethanone
CID 28307
3-methoxy-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}benzamide
CID 10406796
4-Acetyl-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-benzamide
CID 11761374
3-(4-Fluoro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
CID 11761412
N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}-4-ethynylbenzamide
CID 44436600
2-(2-fluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 2525087
N-{4-[4-(2-Methoxy-phenyl)-piperazine-1-carbonyl]-phenyl}-acetamide
CID 654481
3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide
CID 2901762

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide?
The IUPAC name of N-[1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide (CID 3220943) is N-[1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide?
The canonical SMILES for N-[1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide is COc1cccc(OC)c1NC(=O)CN1CCC(NC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide?
The InChIKey is GPBSZMHXJKXZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-29-18-7-4-8-19(30-2)21(18)25-20(27)14-26-11-9-17(10-12-26)24-22(28)15-5-3-6-16(23)13-15/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-[1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide?
N-[1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide has a molecular weight of 415.47 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide is sourced from PubChem (CID 3220943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).