2-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide

C17H26N4O2 — CID 75514465

IUPAC2-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)c2cccn2C(C)C)CC1
InChIInChI=1S/C17H26N4O2/c1-4-7-18-16(22)13-19-9-11-20(12-10-19)17(23)15-6-5-8-21(15)14(2)3/h4-6,8,14H,1,7,9-13H2,2-3H3,(H,18,22)
InChIKeyZCNMMPDWMSQVLS-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.13
Rot. Bonds6

About 2-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 75514465) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID75514465
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)c2cccn2C(C)C)CC1
InChIInChI=1S/C17H26N4O2/c1-4-7-18-16(22)13-19-9-11-20(12-10-19)17(23)15-6-5-8-21(15)14(2)3/h4-6,8,14H,1,7,9-13H2,2-3H3,(H,18,22)
InChIKeyZCNMMPDWMSQVLS-UHFFFAOYSA-N
XLogP1.13
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 93368513
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
CID 119837882
2-methyl-3-oxo-3-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanoic acid
CID 114897489
2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 60938599
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 119837821
2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 79201471
2-[4-[2-(ethylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 30967520
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 60711965
2-[4-[2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55451821
2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide
CID 60708203
2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 54869753
3-methyl-N-[3-methyl-1-oxo-1-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]butan-2-yl]benzamide
CID 55451749

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide (CID 75514465) is 2-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C(=O)c2cccn2C(C)C)CC1.
What is the InChIKey of 2-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is ZCNMMPDWMSQVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-4-7-18-16(22)13-19-9-11-20(12-10-19)17(23)15-6-5-8-21(15)14(2)3/h4-6,8,14H,1,7,9-13H2,2-3H3,(H,18,22).
What are the key properties of 2-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 318.42 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 75514465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).