(2-bromo-4H-furo[3,2-b]pyrrol-5-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone

C15H19BrN2O3 — CID 154868674

IUPAC(2-bromo-4H-furo[3,2-b]pyrrol-5-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone
SMILESCC(C)OC1CCN(C(=O)c2cc3oc(Br)cc3[nH]2)CC1
InChIInChI=1S/C15H19BrN2O3/c1-9(2)20-10-3-5-18(6-4-10)15(19)12-7-13-11(17-12)8-14(16)21-13/h7-10,17H,3-6H2,1-2H3
InChIKeyFBAYJUOONKZXPN-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.55
Rot. Bonds3

About (2-bromo-4H-furo[3,2-b]pyrrol-5-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone

(2-bromo-4H-furo[3,2-b]pyrrol-5-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone (PubChem CID 154868674) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is (2-bromo-4H-furo[3,2-b]pyrrol-5-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4H-furo[3,2-b]pyrrol-5-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone
PubChem CID154868674
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name(2-bromo-4H-furo[3,2-b]pyrrol-5-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone
SMILESCC(C)OC1CCN(C(=O)c2cc3oc(Br)cc3[nH]2)CC1
InChIInChI=1S/C15H19BrN2O3/c1-9(2)20-10-3-5-18(6-4-10)15(19)12-7-13-11(17-12)8-14(16)21-13/h7-10,17H,3-6H2,1-2H3
InChIKeyFBAYJUOONKZXPN-UHFFFAOYSA-N
XLogP3.55
TPSA58.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110744037
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
[1-(2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl)pyrrolidin-3-yl]urea
CID 166398464
[6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone
CID 67017918
4H-furo[3,2-b]pyrrol-5-yl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 154799932
1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 165372779
6-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 106837060
[2-(4-methoxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68683427
2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 110725389
2-(1-propanoyloxyethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 68573442
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
(2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 93076972

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4H-furo[3,2-b]pyrrol-5-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (2-bromo-4H-furo[3,2-b]pyrrol-5-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone (CID 154868674) is (2-bromo-4H-furo[3,2-b]pyrrol-5-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-4H-furo[3,2-b]pyrrol-5-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (2-bromo-4H-furo[3,2-b]pyrrol-5-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone is CC(C)OC1CCN(C(=O)c2cc3oc(Br)cc3[nH]2)CC1.
What is the InChIKey of (2-bromo-4H-furo[3,2-b]pyrrol-5-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone?
The InChIKey is FBAYJUOONKZXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-9(2)20-10-3-5-18(6-4-10)15(19)12-7-13-11(17-12)8-14(16)21-13/h7-10,17H,3-6H2,1-2H3.
What are the key properties of (2-bromo-4H-furo[3,2-b]pyrrol-5-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone?
(2-bromo-4H-furo[3,2-b]pyrrol-5-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone has a molecular weight of 355.23 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4H-furo[3,2-b]pyrrol-5-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 154868674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).