1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide

C15H20BrN3O2 — CID 60954913

IUPAC1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cc(Br)cn2C2CC2)CC1
InChIInChI=1S/C15H20BrN3O2/c1-17-14(20)10-4-6-18(7-5-10)15(21)13-8-11(16)9-19(13)12-2-3-12/h8-10,12H,2-7H2,1H3,(H,17,20)
InChIKeyAXMHVFDVTQWMIE-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.18
Rot. Bonds3

About 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide

1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide (PubChem CID 60954913) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide
PubChem CID60954913
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cc(Br)cn2C2CC2)CC1
InChIInChI=1S/C15H20BrN3O2/c1-17-14(20)10-4-6-18(7-5-10)15(21)13-8-11(16)9-19(13)12-2-3-12/h8-10,12H,2-7H2,1H3,(H,17,20)
InChIKeyAXMHVFDVTQWMIE-UHFFFAOYSA-N
XLogP2.18
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43640610
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43641790
4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide
CID 61040589
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63161481
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721878
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide
CID 43640964
1-(5-bromo-2-hydroxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 47142739
(4-bromo-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 43641097
(4-bromo-1-cyclopropylpyrrol-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64576589
(2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264683
(2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034455
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one
CID 54877594

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide (CID 60954913) is 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)c2cc(Br)cn2C2CC2)CC1.
What is the InChIKey of 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is AXMHVFDVTQWMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-17-14(20)10-4-6-18(7-5-10)15(21)13-8-11(16)9-19(13)12-2-3-12/h8-10,12H,2-7H2,1H3,(H,17,20).
What are the key properties of 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide?
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 354.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 60954913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).