N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide

C8H17N5O2 — CID 83121811

IUPACN-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide
SMILESNC(=O)NCCNC(=O)C1CNCCN1
InChIInChI=1S/C8H17N5O2/c9-8(15)13-4-3-12-7(14)6-5-10-1-2-11-6/h6,10-11H,1-5H2,(H,12,14)(H3,9,13,15)
InChIKeyZBCYODVHDXPHFT-UHFFFAOYSA-N
MW215.26 g/mol
LogP-2.67
Rot. Bonds4

About N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide

N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide (PubChem CID 83121811) has the molecular formula C8H17N5O2 and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide
PubChem CID83121811
Molecular FormulaC8H17N5O2
Molecular Weight215.26 g/mol
Exact Mass215.14
IUPAC NameN-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide
SMILESNC(=O)NCCNC(=O)C1CNCCN1
InChIInChI=1S/C8H17N5O2/c9-8(15)13-4-3-12-7(14)6-5-10-1-2-11-6/h6,10-11H,1-5H2,(H,12,14)(H3,9,13,15)
InChIKeyZBCYODVHDXPHFT-UHFFFAOYSA-N
XLogP-2.67
TPSA108.28 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 5-2.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(2-hydroxyethyl)piperazine-2-carboxamide
CID 129371742
N-(2,2-dimethylpropyl)piperazine-2-carboxamide
CID 63103456
ethyl 2-(piperazine-2-carbonylamino)acetate
CID 54250774
N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide
CID 114424437
N-(2-butoxyethyl)piperazine-2-carboxamide
CID 63103640
N-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide
CID 106096831
N-(2-methoxy-2-methylpropyl)piperazine-2-carboxamide
CID 104761988
N-cyclopropylpiperazine-2-carboxamide
CID 83806832
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide
CID 80681957
N-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide
CID 55177258
acetic acid;piperazine-2-carboxamide
CID 174786994
acetic acid;piperazine-2-carboxamide
CID 14877963

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide (CID 83121811) is N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide is NC(=O)NCCNC(=O)C1CNCCN1.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide?
The InChIKey is ZBCYODVHDXPHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O2/c9-8(15)13-4-3-12-7(14)6-5-10-1-2-11-6/h6,10-11H,1-5H2,(H,12,14)(H3,9,13,15).
What are the key properties of N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide?
N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide has a molecular weight of 215.26 g/mol, XLogP of -2.67, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 83121811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).