2-[(3S)-4-[2-oxo-2-(prop-2-enylamino)ethyl]-3-propylpiperazin-1-yl]-N-prop-2-enylacetamide

C17H30N4O2 — CID 95975343

IUPAC2-[(3S)-4-[2-oxo-2-(prop-2-enylamino)ethyl]-3-propylpiperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(CC(=O)NCC=C)[C@@H](CCC)C1
InChIInChI=1S/C17H30N4O2/c1-4-7-15-12-20(13-16(22)18-8-5-2)10-11-21(15)14-17(23)19-9-6-3/h5-6,15H,2-4,7-14H2,1H3,(H,18,22)(H,19,23)/t15-/m0/s1
InChIKeyVVLTYLWUWOTDRL-HNNXBMFYSA-N
MW322.45 g/mol
LogP0.38
Rot. Bonds10

About 2-[(3S)-4-[2-oxo-2-(prop-2-enylamino)ethyl]-3-propylpiperazin-1-yl]-N-prop-2-enylacetamide

2-[(3S)-4-[2-oxo-2-(prop-2-enylamino)ethyl]-3-propylpiperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 95975343) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[(3S)-4-[2-oxo-2-(prop-2-enylamino)ethyl]-3-propylpiperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(3S)-4-[2-oxo-2-(prop-2-enylamino)ethyl]-3-propylpiperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID95975343
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name2-[(3S)-4-[2-oxo-2-(prop-2-enylamino)ethyl]-3-propylpiperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(CC(=O)NCC=C)[C@@H](CCC)C1
InChIInChI=1S/C17H30N4O2/c1-4-7-15-12-20(13-16(22)18-8-5-2)10-11-21(15)14-17(23)19-9-6-3/h5-6,15H,2-4,7-14H2,1H3,(H,18,22)(H,19,23)/t15-/m0/s1
InChIKeyVVLTYLWUWOTDRL-HNNXBMFYSA-N
XLogP0.38
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-[2-oxo-2-(prop-2-enylamino)ethyl]-3-propylpiperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(3S)-4-[2-oxo-2-(prop-2-enylamino)ethyl]-3-propylpiperazin-1-yl]-N-prop-2-enylacetamide (CID 95975343) is 2-[(3S)-4-[2-oxo-2-(prop-2-enylamino)ethyl]-3-propylpiperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(3S)-4-[2-oxo-2-(prop-2-enylamino)ethyl]-3-propylpiperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(3S)-4-[2-oxo-2-(prop-2-enylamino)ethyl]-3-propylpiperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(CC(=O)NCC=C)[C@@H](CCC)C1.
What is the InChIKey of 2-[(3S)-4-[2-oxo-2-(prop-2-enylamino)ethyl]-3-propylpiperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is VVLTYLWUWOTDRL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-4-7-15-12-20(13-16(22)18-8-5-2)10-11-21(15)14-17(23)19-9-6-3/h5-6,15H,2-4,7-14H2,1H3,(H,18,22)(H,19,23)/t15-/m0/s1.
What are the key properties of 2-[(3S)-4-[2-oxo-2-(prop-2-enylamino)ethyl]-3-propylpiperazin-1-yl]-N-prop-2-enylacetamide?
2-[(3S)-4-[2-oxo-2-(prop-2-enylamino)ethyl]-3-propylpiperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 322.45 g/mol, XLogP of 0.38, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-[2-oxo-2-(prop-2-enylamino)ethyl]-3-propylpiperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 95975343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).