N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide

C22H34N4O4 — CID 36897882

IUPACN-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c1
InChIInChI=1S/C22H34N4O4/c1-17-6-4-5-9-26(17)22(28)16-25-12-10-24(11-13-25)15-21(27)23-19-14-18(29-2)7-8-20(19)30-3/h7-8,14,17H,4-6,9-13,15-16H2,1-3H3,(H,23,27)/t17-/m0/s1
InChIKeyLMBGBOAPJHLTPE-KRWDZBQOSA-N
MW418.54 g/mol
LogP1.66
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 36897882) has the molecular formula C22H34N4O4 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID36897882
Molecular FormulaC22H34N4O4
Molecular Weight418.54 g/mol
Exact Mass418.26
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c1
InChIInChI=1S/C22H34N4O4/c1-17-6-4-5-9-26(17)22(28)16-25-12-10-24(11-13-25)15-21(27)23-19-14-18(29-2)7-8-20(19)30-3/h7-8,14,17H,4-6,9-13,15-16H2,1-3H3,(H,23,27)/t17-/m0/s1
InChIKeyLMBGBOAPJHLTPE-KRWDZBQOSA-N
XLogP1.66
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132785417
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;dihydrochloride
CID 56773506
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909624
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134267
N-(2,5-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919183
N-(2,5-dimethoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2653031
N-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 17376696
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 11930996
2-(1,4-diazepan-1-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119906303
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 51632067

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide (CID 36897882) is N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide is COc1ccc(OC)c(NC(=O)CN2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is LMBGBOAPJHLTPE-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H34N4O4/c1-17-6-4-5-9-26(17)22(28)16-25-12-10-24(11-13-25)15-21(27)23-19-14-18(29-2)7-8-20(19)30-3/h7-8,14,17H,4-6,9-13,15-16H2,1-3H3,(H,23,27)/t17-/m0/s1.
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 418.54 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 36897882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).