(4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone

C15H23BrN2O — CID 54877993

IUPAC(4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCCn1cc(Br)cc1C(=O)N1CCC(CC)CC1
InChIInChI=1S/C15H23BrN2O/c1-3-7-18-11-13(16)10-14(18)15(19)17-8-5-12(4-2)6-9-17/h10-12H,3-9H2,1-2H3
InChIKeyFCSBMKOMKALZJG-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.92
Rot. Bonds4

About (4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone

(4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone (PubChem CID 54877993) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is (4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone
PubChem CID54877993
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name(4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCCn1cc(Br)cc1C(=O)N1CCC(CC)CC1
InChIInChI=1S/C15H23BrN2O/c1-3-7-18-11-13(16)10-14(18)15(19)17-8-5-12(4-2)6-9-17/h10-12H,3-9H2,1-2H3
InChIKeyFCSBMKOMKALZJG-UHFFFAOYSA-N
XLogP3.92
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide
CID 60956321
(3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone
CID 61295504
(4-bromo-1-ethylpyrrol-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43641435
(4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43639912
(4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63620195
(4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
CID 43639622
3-[1-(4-bromo-1-ethylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217490
1-(4-bromo-1-ethylpyrrole-2-carbonyl)piperidine-4-carboxylic acid
CID 43639541
(4-bromo-1-methylpyrrol-2-yl)-(4-propylazepan-1-yl)methanone
CID 49093115
N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 60956160
(4-bromo-1-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 112695890
(4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43644030

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone (CID 54877993) is (4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone is CCCn1cc(Br)cc1C(=O)N1CCC(CC)CC1.
What is the InChIKey of (4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is FCSBMKOMKALZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-3-7-18-11-13(16)10-14(18)15(19)17-8-5-12(4-2)6-9-17/h10-12H,3-9H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone?
(4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone has a molecular weight of 327.27 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 54877993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).