(4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone

C13H19BrN2O2 — CID 43639912

IUPAC(4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCCCn1cc(Br)cc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C13H19BrN2O2/c1-2-5-15-8-10(14)7-12(15)13(18)16-6-3-4-11(17)9-16/h7-8,11,17H,2-6,9H2,1H3
InChIKeyCGWKSDRHYKQJNY-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.26
Rot. Bonds3

About (4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone

(4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 43639912) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is (4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID43639912
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name(4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCCCn1cc(Br)cc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C13H19BrN2O2/c1-2-5-15-8-10(14)7-12(15)13(18)16-6-3-4-11(17)9-16/h7-8,11,17H,2-6,9H2,1H3
InChIKeyCGWKSDRHYKQJNY-UHFFFAOYSA-N
XLogP2.26
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone
CID 61295504
(4-amino-1-propylpyrrol-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211714
N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 60956160
(4-chloro-1-propylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291483
(4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 54877993
(4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63620195
(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 43639083
(4-bromo-1-methylpyrrol-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916212
2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide
CID 60956321
7-(4-bromo-1-propylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094059
(4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932964
(4-amino-1-propylpyrrol-2-yl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63149723

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone (CID 43639912) is (4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone is CCCn1cc(Br)cc1C(=O)N1CCCC(O)C1.
What is the InChIKey of (4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is CGWKSDRHYKQJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-2-5-15-8-10(14)7-12(15)13(18)16-6-3-4-11(17)9-16/h7-8,11,17H,2-6,9H2,1H3.
What are the key properties of (4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
(4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 315.21 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43639912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).