N-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide

C19H30N4O2 — CID 177160364

IUPACN-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccc(NC(=O)CN2CCN(C(=O)CNC(C)C)CC2)cc1
InChIInChI=1S/C19H30N4O2/c1-4-16-5-7-17(8-6-16)21-18(24)14-22-9-11-23(12-10-22)19(25)13-20-15(2)3/h5-8,15,20H,4,9-14H2,1-3H3,(H,21,24)
InChIKeyHGRJLMILPIKTAK-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.33
Rot. Bonds7

About N-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide

N-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide (PubChem CID 177160364) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide
PubChem CID177160364
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccc(NC(=O)CN2CCN(C(=O)CNC(C)C)CC2)cc1
InChIInChI=1S/C19H30N4O2/c1-4-16-5-7-17(8-6-16)21-18(24)14-22-9-11-23(12-10-22)19(25)13-20-15(2)3/h5-8,15,20H,4,9-14H2,1-3H3,(H,21,24)
InChIKeyHGRJLMILPIKTAK-UHFFFAOYSA-N
XLogP1.33
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196973
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 35125248
N-(4-ethylphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195926
2-[4-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719328
N-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide
CID 8992613
2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane
CID 162725444
N-(4-ethoxyphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120705085
N-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 30872026
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103
2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683844
2-[4-[2-(4-ethylphenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020191

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide (CID 177160364) is N-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide is CCc1ccc(NC(=O)CN2CCN(C(=O)CNC(C)C)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide?
The InChIKey is HGRJLMILPIKTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-16-5-7-17(8-6-16)21-18(24)14-22-9-11-23(12-10-22)19(25)13-20-15(2)3/h5-8,15,20H,4,9-14H2,1-3H3,(H,21,24).
What are the key properties of N-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide?
N-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide has a molecular weight of 346.48 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 177160364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).