1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide

C14H18BrN3O2 — CID 43640964

IUPAC1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2cc(Br)cn2C2CC2)C1
InChIInChI=1S/C14H18BrN3O2/c15-10-6-12(18(8-10)11-3-4-11)14(20)17-5-1-2-9(7-17)13(16)19/h6,8-9,11H,1-5,7H2,(H2,16,19)
InChIKeyFMQCWFZCHUHYJT-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.92
Rot. Bonds3

About 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide

1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide (PubChem CID 43640964) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide
PubChem CID43640964
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2cc(Br)cn2C2CC2)C1
InChIInChI=1S/C14H18BrN3O2/c15-10-6-12(18(8-10)11-3-4-11)14(20)17-5-1-2-9(7-17)13(16)19/h6,8-9,11H,1-5,7H2,(H2,16,19)
InChIKeyFMQCWFZCHUHYJT-UHFFFAOYSA-N
XLogP1.92
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.92
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
1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide
CID 79714737
1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide
CID 104851796
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 60954913
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43641790
(2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922359
(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
ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 43409185
1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600
1-(2-bromobenzoyl)piperidine-3-carboxamide
CID 24692766
(4-bromo-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 43641097

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide (CID 43640964) is 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2cc(Br)cn2C2CC2)C1.
What is the InChIKey of 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is FMQCWFZCHUHYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c15-10-6-12(18(8-10)11-3-4-11)14(20)17-5-1-2-9(7-17)13(16)19/h6,8-9,11H,1-5,7H2,(H2,16,19).
What are the key properties of 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide?
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 340.22 g/mol, XLogP of 1.92, 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)piperidine-3-carboxamide is sourced from PubChem (CID 43640964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).