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

C13H20BrN3O — CID 61295504

IUPAC(3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone
SMILESCCCn1cc(Br)cc1C(=O)N1CCCC(N)C1
InChIInChI=1S/C13H20BrN3O/c1-2-5-16-8-10(14)7-12(16)13(18)17-6-3-4-11(15)9-17/h7-8,11H,2-6,9,15H2,1H3
InChIKeyXMRUVIHMUWEBLW-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.22
Rot. Bonds3

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

(3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone (PubChem CID 61295504) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone
PubChem CID61295504
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name(3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone
SMILESCCCn1cc(Br)cc1C(=O)N1CCCC(N)C1
InChIInChI=1S/C13H20BrN3O/c1-2-5-16-8-10(14)7-12(16)13(18)17-6-3-4-11(15)9-17/h7-8,11H,2-6,9,15H2,1H3
InChIKeyXMRUVIHMUWEBLW-UHFFFAOYSA-N
XLogP2.22
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43639912
N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 60956160
(4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 54877993
2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide
CID 60956321
(4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63620195
(4-amino-1-propylpyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209719
(4-amino-1-propylpyrrol-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211714
(4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
CID 43639622
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-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 112695890
(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
(4-bromo-1-methylpyrrol-2-yl)-(4-propylazepan-1-yl)methanone
CID 49093115

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone (CID 61295504) is (3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone is CCCn1cc(Br)cc1C(=O)N1CCCC(N)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone?
The InChIKey is XMRUVIHMUWEBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-2-5-16-8-10(14)7-12(16)13(18)17-6-3-4-11(15)9-17/h7-8,11H,2-6,9,15H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone?
(3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone has a molecular weight of 314.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone is sourced from PubChem (CID 61295504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).