4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide

C15H24BrN3O — CID 63636908

IUPAC4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)N(CC)C1CCCNC1
InChIInChI=1S/C15H24BrN3O/c1-3-8-18-11-12(16)9-14(18)15(20)19(4-2)13-6-5-7-17-10-13/h9,11,13,17H,3-8,10H2,1-2H3
InChIKeySWVIGPPGKXJTDV-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.87
Rot. Bonds5

About 4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide

4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide (PubChem CID 63636908) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide
PubChem CID63636908
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)N(CC)C1CCCNC1
InChIInChI=1S/C15H24BrN3O/c1-3-8-18-11-12(16)9-14(18)15(20)19(4-2)13-6-5-7-17-10-13/h9,11,13,17H,3-8,10H2,1-2H3
InChIKeySWVIGPPGKXJTDV-UHFFFAOYSA-N
XLogP2.87
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-yl)-4-bromo-N-methyl-1-propylpyrrole-2-carboxamide
CID 66187541
4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43641514
2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
CID 107939910
3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide
CID 63637955
4-bromo-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 43639929
4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
CID 106628800
2-ethyl-5-methyl-N-piperidin-3-yl-N-propylpyrazole-3-carboxamide
CID 66128479
N-ethyl-N-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610281
4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide
CID 43641814
4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 60807774
4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63299472
2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 107990350

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide (CID 63636908) is 4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)N(CC)C1CCCNC1.
What is the InChIKey of 4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide?
The InChIKey is SWVIGPPGKXJTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-3-8-18-11-12(16)9-14(18)15(20)19(4-2)13-6-5-7-17-10-13/h9,11,13,17H,3-8,10H2,1-2H3.
What are the key properties of 4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide?
4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide has a molecular weight of 342.28 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 63636908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).