2-phenyl-1-[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]piperidin-1-yl]ethanone

C20H24N4O — CID 141133490

IUPAC2-phenyl-1-[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]piperidin-1-yl]ethanone
SMILESC=CCc1cnc(N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cn1
InChIInChI=1S/C20H24N4O/c1-2-7-17-13-22-19(14-21-17)23-18-10-6-11-24(15-18)20(25)12-16-8-4-3-5-9-16/h2-5,8-9,13-14,18H,1,6-7,10-12,15H2,(H,22,23)/t18-/m1/s1
InChIKeyGNEKOJJCXLGKKQ-GOSISDBHSA-N
MW336.44 g/mol
LogP2.85
Rot. Bonds6

About 2-phenyl-1-[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]piperidin-1-yl]ethanone

2-phenyl-1-[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]piperidin-1-yl]ethanone (PubChem CID 141133490) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-phenyl-1-[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]piperidin-1-yl]ethanone
PubChem CID141133490
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-phenyl-1-[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]piperidin-1-yl]ethanone
SMILESC=CCc1cnc(N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cn1
InChIInChI=1S/C20H24N4O/c1-2-7-17-13-22-19(14-21-17)23-18-10-6-11-24(15-18)20(25)12-16-8-4-3-5-9-16/h2-5,8-9,13-14,18H,1,6-7,10-12,15H2,(H,22,23)/t18-/m1/s1
InChIKeyGNEKOJJCXLGKKQ-GOSISDBHSA-N
XLogP2.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.85
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-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone
CID 167905138
2-[[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]pyrrolidin-1-yl]methyl]phenol
CID 141133442
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
5-prop-2-enyl-N-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazin-2-amine
CID 141133520
1-[3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-1-yl]-2-phenylethanone
CID 59339024
N-[(3R)-1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]-5-prop-2-enylpyrazin-2-amine
CID 141181166
3-[6-[[(3R)-1-benzylpiperidin-3-yl]amino]-3-pyridinyl]prop-2-enoic acid
CID 68962344
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
4-[[1-(2-phenylacetyl)piperidin-3-yl]carbamoylamino]butanoic acid
CID 122013601
N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47029348
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]piperidin-1-yl]ethanone (CID 141133490) is 2-phenyl-1-[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]piperidin-1-yl]ethanone is C=CCc1cnc(N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cn1.
What is the InChIKey of 2-phenyl-1-[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is GNEKOJJCXLGKKQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-7-17-13-22-19(14-21-17)23-18-10-6-11-24(15-18)20(25)12-16-8-4-3-5-9-16/h2-5,8-9,13-14,18H,1,6-7,10-12,15H2,(H,22,23)/t18-/m1/s1.
What are the key properties of 2-phenyl-1-[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]piperidin-1-yl]ethanone?
2-phenyl-1-[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 336.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 141133490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).