2-[4-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

C23H36N4O2 — CID 8694527

IUPAC2-[4-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCCCN(CC1CC1)C(=O)CN1CCN(CC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C23H36N4O2/c1-4-10-27(15-20-8-9-20)23(29)17-26-13-11-25(12-14-26)16-22(28)24-21-7-5-6-18(2)19(21)3/h5-7,20H,4,8-17H2,1-3H3,(H,24,28)
InChIKeyGFJCDULYUHJGOB-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.51
Rot. Bonds9

About 2-[4-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

2-[4-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 8694527) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 2-[4-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID8694527
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name2-[4-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCCCN(CC1CC1)C(=O)CN1CCN(CC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C23H36N4O2/c1-4-10-27(15-20-8-9-20)23(29)17-26-13-11-25(12-14-26)16-22(28)24-21-7-5-6-18(2)19(21)3/h5-7,20H,4,8-17H2,1-3H3,(H,24,28)
InChIKeyGFJCDULYUHJGOB-UHFFFAOYSA-N
XLogP2.51
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8917545
4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37191936
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55702952
N-(2-chlorophenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8800132
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
CID 171327633
N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898054
N-(2,3-dimethylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81492808
N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8694492
N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 27859808

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (CID 8694527) is 2-[4-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is CCCN(CC1CC1)C(=O)CN1CCN(CC(=O)Nc2cccc(C)c2C)CC1.
What is the InChIKey of 2-[4-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is GFJCDULYUHJGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-4-10-27(15-20-8-9-20)23(29)17-26-13-11-25(12-14-26)16-22(28)24-21-7-5-6-18(2)19(21)3/h5-7,20H,4,8-17H2,1-3H3,(H,24,28).
What are the key properties of 2-[4-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
2-[4-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 400.57 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 8694527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).