2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide

C19H27N5O3 — CID 55829505

IUPAC2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C19H27N5O3/c1-2-20-17(25)13-23-9-11-24(12-10-23)18(26)14-3-5-15(6-4-14)21-19(27)22-16-7-8-16/h3-6,16H,2,7-13H2,1H3,(H,20,25)(H2,21,22,27)
InChIKeyMNDVKWZAFOKJSE-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.86
Rot. Bonds6

About 2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide

2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide (PubChem CID 55829505) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide
PubChem CID55829505
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C19H27N5O3/c1-2-20-17(25)13-23-9-11-24(12-10-23)18(26)14-3-5-15(6-4-14)21-19(27)22-16-7-8-16/h3-6,16H,2,7-13H2,1H3,(H,20,25)(H2,21,22,27)
InChIKeyMNDVKWZAFOKJSE-UHFFFAOYSA-N
XLogP0.86
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843977
2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9223376
N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide
CID 55796342
N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide
CID 55429139
2-[4-(6-aminopyridine-3-carbonyl)piperazin-1-yl]-N-ethylacetamide
CID 72857433
4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323
2-(4-methylpiperidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54816946
N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 35125248
N-cyclopropyl-2-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 43045355
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
methyl 5-[[4-[4-(cyclobutylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]-1H-pyrrole-3-carboxylate
CID 141256673
N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830445

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide (CID 55829505) is 2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)NC3CC3)cc2)CC1.
What is the InChIKey of 2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide?
The InChIKey is MNDVKWZAFOKJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-2-20-17(25)13-23-9-11-24(12-10-23)18(26)14-3-5-15(6-4-14)21-19(27)22-16-7-8-16/h3-6,16H,2,7-13H2,1H3,(H,20,25)(H2,21,22,27).
What are the key properties of 2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide?
2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide has a molecular weight of 373.46 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 55829505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).