N,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide

C15H27N5O3 — CID 37193198

IUPACN,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide
SMILESC=CCNC(=O)NC(=O)CN1CCN(C(=O)N(CC)CC)CC1
InChIInChI=1S/C15H27N5O3/c1-4-7-16-14(22)17-13(21)12-18-8-10-20(11-9-18)15(23)19(5-2)6-3/h4H,1,5-12H2,2-3H3,(H2,16,17,21,22)
InChIKeyGXODKGANBJPTLD-UHFFFAOYSA-N
MW325.41 g/mol
LogP0.08
Rot. Bonds6

About N,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide

N,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide (PubChem CID 37193198) has the molecular formula C15H27N5O3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide
PubChem CID37193198
Molecular FormulaC15H27N5O3
Molecular Weight325.41 g/mol
Exact Mass325.21
IUPAC NameN,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide
SMILESC=CCNC(=O)NC(=O)CN1CCN(C(=O)N(CC)CC)CC1
InChIInChI=1S/C15H27N5O3/c1-4-7-16-14(22)17-13(21)12-18-8-10-20(11-9-18)15(23)19(5-2)6-3/h4H,1,5-12H2,2-3H3,(H2,16,17,21,22)
InChIKeyGXODKGANBJPTLD-UHFFFAOYSA-N
XLogP0.08
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(ethylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 30967520
2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 27131769
2-piperidin-1-yl-N-(prop-2-enylcarbamoyl)acetamide
CID 27131383
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 63595189
3-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanoic acid
CID 43522344
N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide
CID 43037834
2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 87022015
2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide
CID 60708203
4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 47028760
N-(prop-2-enylcarbamoyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27181136
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 93368513
2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 51170634

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide (CID 37193198) is N,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide is C=CCNC(=O)NC(=O)CN1CCN(C(=O)N(CC)CC)CC1.
What is the InChIKey of N,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide?
The InChIKey is GXODKGANBJPTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3/c1-4-7-16-14(22)17-13(21)12-18-8-10-20(11-9-18)15(23)19(5-2)6-3/h4H,1,5-12H2,2-3H3,(H2,16,17,21,22).
What are the key properties of N,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide?
N,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 37193198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).