(4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

C15H22BrN3O — CID 63256413

IUPAC(4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCn1cc(Br)cc1C(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C15H22BrN3O/c1-18-10-11(16)9-14(18)15(20)19-8-3-2-6-13(19)12-5-4-7-17-12/h9-10,12-13,17H,2-8H2,1H3
InChIKeyCRVBUMPEFDWJOE-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.53
Rot. Bonds2

About (4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

(4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 63256413) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is (4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID63256413
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name(4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCn1cc(Br)cc1C(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C15H22BrN3O/c1-18-10-11(16)9-14(18)15(20)19-8-3-2-6-13(19)12-5-4-7-17-12/h9-10,12-13,17H,2-8H2,1H3
InChIKeyCRVBUMPEFDWJOE-UHFFFAOYSA-N
XLogP2.53
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
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[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(4-bromo-1-methylpyrrol-2-yl)methanone
CID 43594773
(1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
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(4-bromo-1-methylpyrrol-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
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(4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
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cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256843
(2-methyl-1,3-thiazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
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(2-bromo-5-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 63256413) is (4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is Cn1cc(Br)cc1C(=O)N1CCCCC1C1CCCN1.
What is the InChIKey of (4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is CRVBUMPEFDWJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-18-10-11(16)9-14(18)15(20)19-8-3-2-6-13(19)12-5-4-7-17-12/h9-10,12-13,17H,2-8H2,1H3.
What are the key properties of (4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 340.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 63256413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).