N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide

C22H34N4O2 — CID 51632067

IUPACN-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N2CCCC[C@H]2C)CC1
InChIInChI=1S/C22H34N4O2/c1-17-7-6-8-18(2)22(17)23-20(27)15-24-11-13-25(14-12-24)16-21(28)26-10-5-4-9-19(26)3/h6-8,19H,4-5,9-16H2,1-3H3,(H,23,27)/t19-/m1/s1
InChIKeyHXUPMDKVCQBREE-LJQANCHMSA-N
MW386.54 g/mol
LogP2.26
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 51632067) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID51632067
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N2CCCC[C@H]2C)CC1
InChIInChI=1S/C22H34N4O2/c1-17-7-6-8-18(2)22(17)23-20(27)15-24-11-13-25(14-12-24)16-21(28)26-10-5-4-9-19(26)3/h6-8,19H,4-5,9-16H2,1-3H3,(H,23,27)/t19-/m1/s1
InChIKeyHXUPMDKVCQBREE-LJQANCHMSA-N
XLogP2.26
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 6994156
2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 92987749
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8557874
2-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917312
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8694492
N-tert-butyl-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30641335
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 30724296
2-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917291
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 45281379
N-[(2-fluorophenyl)methyl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045272
2-[4-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 8694672

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide (CID 51632067) is N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide is Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N2CCCC[C@H]2C)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is HXUPMDKVCQBREE-LJQANCHMSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-17-7-6-8-18(2)22(17)23-20(27)15-24-11-13-25(14-12-24)16-21(28)26-10-5-4-9-19(26)3/h6-8,19H,4-5,9-16H2,1-3H3,(H,23,27)/t19-/m1/s1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 386.54 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 51632067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).