4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide

C14H22BrN3O2 — CID 71879932

IUPAC4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2cc(Br)c[nH]2)CC1
InChIInChI=1S/C14H22BrN3O2/c1-20-7-6-18-4-2-11(3-5-18)9-17-14(19)13-8-12(15)10-16-13/h8,10-11,16H,2-7,9H2,1H3,(H,17,19)
InChIKeyBTPOQILBDUYXRW-UHFFFAOYSA-N
MW344.25 g/mol
LogP1.87
Rot. Bonds6

About 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 71879932) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID71879932
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2cc(Br)c[nH]2)CC1
InChIInChI=1S/C14H22BrN3O2/c1-20-7-6-18-4-2-11(3-5-18)9-17-14(19)13-8-12(15)10-16-13/h8,10-11,16H,2-7,9H2,1H3,(H,17,19)
InChIKeyBTPOQILBDUYXRW-UHFFFAOYSA-N
XLogP1.87
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895556
4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
CID 107413497
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 115600313
4-bromo-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95238744
4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 93318154
3,4,5-trimethoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895501
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 54927297
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 86948344
(4-bromo-1H-pyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250702
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 71879976
4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 166196381

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide (CID 71879932) is 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide is COCCN1CCC(CNC(=O)c2cc(Br)c[nH]2)CC1.
What is the InChIKey of 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is BTPOQILBDUYXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-20-7-6-18-4-2-11(3-5-18)9-17-14(19)13-8-12(15)10-16-13/h8,10-11,16H,2-7,9H2,1H3,(H,17,19).
What are the key properties of 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 344.25 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71879932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).