N-[1-(prop-2-enoylamino)piperazin-2-yl]prop-2-enamide

C10H16N4O2 — CID 18678968

IUPACN-[1-(prop-2-enoylamino)piperazin-2-yl]prop-2-enamide
SMILESC=CC(=O)NC1CNCCN1NC(=O)C=C
InChIInChI=1S/C10H16N4O2/c1-3-9(15)12-8-7-11-5-6-14(8)13-10(16)4-2/h3-4,8,11H,1-2,5-7H2,(H,12,15)(H,13,16)
InChIKeyYYWXRCLQSSSBKG-UHFFFAOYSA-N
MW224.26 g/mol
LogP-1.26
Rot. Bonds4

About N-[1-(prop-2-enoylamino)piperazin-2-yl]prop-2-enamide

N-[1-(prop-2-enoylamino)piperazin-2-yl]prop-2-enamide (PubChem CID 18678968) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[1-(prop-2-enoylamino)piperazin-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(prop-2-enoylamino)piperazin-2-yl]prop-2-enamide
PubChem CID18678968
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[1-(prop-2-enoylamino)piperazin-2-yl]prop-2-enamide
SMILESC=CC(=O)NC1CNCCN1NC(=O)C=C
InChIInChI=1S/C10H16N4O2/c1-3-9(15)12-8-7-11-5-6-14(8)13-10(16)4-2/h3-4,8,11H,1-2,5-7H2,(H,12,15)(H,13,16)
InChIKeyYYWXRCLQSSSBKG-UHFFFAOYSA-N
XLogP-1.26
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(prop-2-enoylamino)piperazin-2-yl]prop-2-enamide?
The IUPAC name of N-[1-(prop-2-enoylamino)piperazin-2-yl]prop-2-enamide (CID 18678968) is N-[1-(prop-2-enoylamino)piperazin-2-yl]prop-2-enamide.
What is the SMILES notation for N-[1-(prop-2-enoylamino)piperazin-2-yl]prop-2-enamide?
The canonical SMILES for N-[1-(prop-2-enoylamino)piperazin-2-yl]prop-2-enamide is C=CC(=O)NC1CNCCN1NC(=O)C=C.
What is the InChIKey of N-[1-(prop-2-enoylamino)piperazin-2-yl]prop-2-enamide?
The InChIKey is YYWXRCLQSSSBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-9(15)12-8-7-11-5-6-14(8)13-10(16)4-2/h3-4,8,11H,1-2,5-7H2,(H,12,15)(H,13,16).
What are the key properties of N-[1-(prop-2-enoylamino)piperazin-2-yl]prop-2-enamide?
N-[1-(prop-2-enoylamino)piperazin-2-yl]prop-2-enamide has a molecular weight of 224.26 g/mol, XLogP of -1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(prop-2-enoylamino)piperazin-2-yl]prop-2-enamide is sourced from PubChem (CID 18678968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).