N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide

C15H22BrN3O2 — CID 60956160

IUPACN-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
SMILESCCCn1cc(Br)cc1C(=O)N1CCCC(NC(C)=O)C1
InChIInChI=1S/C15H22BrN3O2/c1-3-6-18-9-12(16)8-14(18)15(21)19-7-4-5-13(10-19)17-11(2)20/h8-9,13H,3-7,10H2,1-2H3,(H,17,20)
InChIKeyHTOXGGYOVHGKEH-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.40
Rot. Bonds4

About N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide

N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide (PubChem CID 60956160) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
PubChem CID60956160
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC NameN-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
SMILESCCCn1cc(Br)cc1C(=O)N1CCCC(NC(C)=O)C1
InChIInChI=1S/C15H22BrN3O2/c1-3-6-18-9-12(16)8-14(18)15(21)19-7-4-5-13(10-19)17-11(2)20/h8-9,13H,3-7,10H2,1-2H3,(H,17,20)
InChIKeyHTOXGGYOVHGKEH-UHFFFAOYSA-N
XLogP2.40
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.40
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
(3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone
CID 61295504
N-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 60956161
4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide
CID 61170021
N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 61110247
(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
(4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 113281905
(4-amino-1-propylpyrrol-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211714
4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide
CID 61212021
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide (CID 60956160) is N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide is CCCn1cc(Br)cc1C(=O)N1CCCC(NC(C)=O)C1.
What is the InChIKey of N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is HTOXGGYOVHGKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-3-6-18-9-12(16)8-14(18)15(21)19-7-4-5-13(10-19)17-11(2)20/h8-9,13H,3-7,10H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide?
N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 356.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 60956160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).