(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone

C15H23BrN2O — CID 43641494

IUPAC(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C15H23BrN2O/c1-4-13-7-5-6-8-17(13)15(19)14-9-12(16)10-18(14)11(2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyQWOJRNGWIBMMKH-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.24
Rot. Bonds3

About (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone

(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 43641494) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID43641494
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C15H23BrN2O/c1-4-13-7-5-6-8-17(13)15(19)14-9-12(16)10-18(14)11(2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyQWOJRNGWIBMMKH-UHFFFAOYSA-N
XLogP4.24
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-1-propan-2-ylpyrrol-2-yl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62889680
(4-bromo-1-propan-2-ylpyrrol-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81485100
1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 64558595
(2S,3S)-1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122115577
(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 107951572
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(4-bromo-1-propan-2-ylpyrrol-2-yl)methanone
CID 102679383
(4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61409094
(4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 60955212
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride
CID 119631149
(4-bromo-1-propan-2-ylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 128988353
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 113441714

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone (CID 43641494) is (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(Br)cn1C(C)C.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is QWOJRNGWIBMMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-4-13-7-5-6-8-17(13)15(19)14-9-12(16)10-18(14)11(2)3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 327.27 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 43641494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).