2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide

C18H27N5O3 — CID 31691698

IUPAC2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide
SMILESCC(C)NC(=O)NC(=O)CN1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H27N5O3/c1-14(2)19-18(26)21-17(25)13-23-10-8-22(9-11-23)12-16(24)20-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,20,24)(H2,19,21,25,26)
InChIKeyINLSZGJJOYFPAW-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.48
Rot. Bonds6

About 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 31691698) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID31691698
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide
SMILESCC(C)NC(=O)NC(=O)CN1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H27N5O3/c1-14(2)19-18(26)21-17(25)13-23-10-8-22(9-11-23)12-16(24)20-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,20,24)(H2,19,21,25,26)
InChIKeyINLSZGJJOYFPAW-UHFFFAOYSA-N
XLogP0.48
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 62310082
2-[4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]-N-phenylacetamide
CID 31691823
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-phenylacetamide
CID 37280943
N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30722668
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688385
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 9266085
(2S)-2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(cyclopentylcarbamoyl)propanamide
CID 31694438
N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide
CID 55917102
3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43397416
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide
CID 55504284
N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 46519790
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 30968389

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide (CID 31691698) is 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide is CC(C)NC(=O)NC(=O)CN1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is INLSZGJJOYFPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-14(2)19-18(26)21-17(25)13-23-10-8-22(9-11-23)12-16(24)20-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,20,24)(H2,19,21,25,26).
What are the key properties of 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 361.45 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 31691698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).