N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide

C23H36N4O2 — CID 8694492

IUPACN-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCC[C@H]1CCCCN1C(=O)CN1CCN(CC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C23H36N4O2/c1-4-20-9-5-6-11-27(20)23(29)17-26-14-12-25(13-15-26)16-22(28)24-21-10-7-8-18(2)19(21)3/h7-8,10,20H,4-6,9,11-17H2,1-3H3,(H,24,28)/t20-/m0/s1
InChIKeyGIPHUAAQXFXLFD-FQEVSTJZSA-N
MW400.57 g/mol
LogP2.65
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 8694492) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID8694492
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCC[C@H]1CCCCN1C(=O)CN1CCN(CC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C23H36N4O2/c1-4-20-9-5-6-11-27(20)23(29)17-26-14-12-25(13-15-26)16-22(28)24-21-10-7-8-18(2)19(21)3/h7-8,10,20H,4-6,9,11-17H2,1-3H3,(H,24,28)/t20-/m0/s1
InChIKeyGIPHUAAQXFXLFD-FQEVSTJZSA-N
XLogP2.65
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55410792
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
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 109004204
N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 8694491
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropanamide
CID 131900520
N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056461
N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 51632067
2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55702952
N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 3220746
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250351

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide (CID 8694492) is N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide is CC[C@H]1CCCCN1C(=O)CN1CCN(CC(=O)Nc2cccc(C)c2C)CC1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is GIPHUAAQXFXLFD-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-4-20-9-5-6-11-27(20)23(29)17-26-14-12-25(13-15-26)16-22(28)24-21-10-7-8-18(2)19(21)3/h7-8,10,20H,4-6,9,11-17H2,1-3H3,(H,24,28)/t20-/m0/s1.
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 400.57 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8694492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).