(2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone

C16H19BrN2O2 — CID 91959016

IUPAC(2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone
SMILESC=CCn1c(C(=O)N2CCCC(C)C2)cc2oc(Br)cc21
InChIInChI=1S/C16H19BrN2O2/c1-3-6-19-12-9-15(17)21-14(12)8-13(19)16(20)18-7-4-5-11(2)10-18/h3,8-9,11H,1,4-7,10H2,2H3
InChIKeyYDRGTYBICHQUOM-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.05
Rot. Bonds3

About (2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone

(2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 91959016) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is (2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID91959016
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name(2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone
SMILESC=CCn1c(C(=O)N2CCCC(C)C2)cc2oc(Br)cc21
InChIInChI=1S/C16H19BrN2O2/c1-3-6-19-12-9-15(17)21-14(12)8-13(19)16(20)18-7-4-5-11(2)10-18/h3,8-9,11H,1,4-7,10H2,2H3
InChIKeyYDRGTYBICHQUOM-UHFFFAOYSA-N
XLogP4.05
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone
CID 91958893
2-bromo-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
CID 91959028
7-(3-methylpiperidine-1-carbonyl)-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one
CID 46651037
ethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 91958892
[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 91958848
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
(4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone
CID 91959090
[1-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]pyrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 29097980
[2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone
CID 7231179
2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 5176137
(5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 172654563

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone (CID 91959016) is (2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone is C=CCn1c(C(=O)N2CCCC(C)C2)cc2oc(Br)cc21.
What is the InChIKey of (2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is YDRGTYBICHQUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-3-6-19-12-9-15(17)21-14(12)8-13(19)16(20)18-7-4-5-11(2)10-18/h3,8-9,11H,1,4-7,10H2,2H3.
What are the key properties of (2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone?
(2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 351.24 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 91959016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).