4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide

C14H22BrN3O — CID 106628202

IUPAC4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
SMILESCCCN(CC1CCCNC1)C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C14H22BrN3O/c1-2-6-18(10-11-4-3-5-16-8-11)14(19)13-7-12(15)9-17-13/h7,9,11,16-17H,2-6,8,10H2,1H3
InChIKeyJPHVEOHULITMET-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.63
Rot. Bonds5

About 4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide

4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide (PubChem CID 106628202) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
PubChem CID106628202
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
SMILESCCCN(CC1CCCNC1)C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C14H22BrN3O/c1-2-6-18(10-11-4-3-5-16-8-11)14(19)13-7-12(15)9-17-13/h7,9,11,16-17H,2-6,8,10H2,1H3
InChIKeyJPHVEOHULITMET-UHFFFAOYSA-N
XLogP2.63
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide
CID 107963808
4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide
CID 43410885
5-methyl-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrazole-3-carboxamide
CID 106628456
6-methyl-N-(piperidin-3-ylmethyl)-N-propylpyridine-2-carboxamide
CID 106628314
2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628436
2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628169
4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107016147
N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide
CID 106628118
4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107990973
N-(piperidin-3-ylmethyl)-N-propylcyclopropanecarboxamide
CID 106628435
5-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106628225
ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate
CID 106630010

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide (CID 106628202) is 4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide is CCCN(CC1CCCNC1)C(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide?
The InChIKey is JPHVEOHULITMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-2-6-18(10-11-4-3-5-16-8-11)14(19)13-7-12(15)9-17-13/h7,9,11,16-17H,2-6,8,10H2,1H3.
What are the key properties of 4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide?
4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide has a molecular weight of 328.25 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 106628202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).