2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide

C17H23FN4O2 — CID 124615432

IUPAC2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1
InChIInChI=1S/C17H23FN4O2/c1-2-9-19-16(23)11-20-17(24)21-13-6-5-10-22(12-13)15-8-4-3-7-14(15)18/h2-4,7-8,13H,1,5-6,9-12H2,(H,19,23)(H2,20,21,24)/t13-/m1/s1
InChIKeyXVFGQGJZPIKGGQ-CYBMUJFWSA-N
MW334.40 g/mol
LogP1.40
Rot. Bonds6

About 2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide

2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide (PubChem CID 124615432) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide
PubChem CID124615432
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1
InChIInChI=1S/C17H23FN4O2/c1-2-9-19-16(23)11-20-17(24)21-13-6-5-10-22(12-13)15-8-4-3-7-14(15)18/h2-4,7-8,13H,1,5-6,9-12H2,(H,19,23)(H2,20,21,24)/t13-/m1/s1
InChIKeyXVFGQGJZPIKGGQ-CYBMUJFWSA-N
XLogP1.40
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide
CID 136518581
(2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97249227
N'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide
CID 166237838
1-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 99850766
1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea
CID 97329029
N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine
CID 133411829
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide
CID 119882578
N-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide
CID 96567414
1-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618855
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide
CID 133411794
[2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol
CID 133411847

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide (CID 124615432) is 2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1.
What is the InChIKey of 2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide?
The InChIKey is XVFGQGJZPIKGGQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-2-9-19-16(23)11-20-17(24)21-13-6-5-10-22(12-13)15-8-4-3-7-14(15)18/h2-4,7-8,13H,1,5-6,9-12H2,(H,19,23)(H2,20,21,24)/t13-/m1/s1.
What are the key properties of 2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide?
2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide has a molecular weight of 334.40 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 124615432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).