4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide

C15H22BrN3O — CID 106628800

IUPAC4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C15H22BrN3O/c1-18-10-12(16)7-14(18)15(20)19(13-4-5-13)9-11-3-2-6-17-8-11/h7,10-11,13,17H,2-6,8-9H2,1H3
InChIKeyUJYQLPUVVBTAHW-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.39
Rot. Bonds4

About 4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide

4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 106628800) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID106628800
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C15H22BrN3O/c1-18-10-12(16)7-14(18)15(20)19(13-4-5-13)9-11-3-2-6-17-8-11/h7,10-11,13,17H,2-6,8-9H2,1H3
InChIKeyUJYQLPUVVBTAHW-UHFFFAOYSA-N
XLogP2.39
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628749
5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628689
3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628660
3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628507
4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide
CID 63636908
4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628579
4-bromo-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide
CID 55249969
N-cyclopropyl-5-(methoxymethyl)-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106628709
N-cyclopropyl-2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide
CID 106628625
4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 60956180
4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62379331
1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629978

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide (CID 106628800) is 4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)N(CC1CCCNC1)C1CC1.
What is the InChIKey of 4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is UJYQLPUVVBTAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-18-10-12(16)7-14(18)15(20)19(13-4-5-13)9-11-3-2-6-17-8-11/h7,10-11,13,17H,2-6,8-9H2,1H3.
What are the key properties of 4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide?
4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 340.27 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 106628800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).