4-[(5-bromo-4-ethoxyindazol-2-yl)methyl]piperidine-1-carboxylic acid

C16H20BrN3O3 — CID 141372506

IUPAC4-[(5-bromo-4-ethoxyindazol-2-yl)methyl]piperidine-1-carboxylic acid
SMILESCCOc1c(Br)ccc2nn(CC3CCN(C(=O)O)CC3)cc12
InChIInChI=1S/C16H20BrN3O3/c1-2-23-15-12-10-20(18-14(12)4-3-13(15)17)9-11-5-7-19(8-6-11)16(21)22/h3-4,10-11H,2,5-9H2,1H3,(H,21,22)
InChIKeyMWXZSATVXGUBJN-UHFFFAOYSA-N
MW382.26 g/mol
LogP3.59
Rot. Bonds4

About 4-[(5-bromo-4-ethoxyindazol-2-yl)methyl]piperidine-1-carboxylic acid

4-[(5-bromo-4-ethoxyindazol-2-yl)methyl]piperidine-1-carboxylic acid (PubChem CID 141372506) has the molecular formula C16H20BrN3O3 and a molecular weight of 382.26 g/mol. Its IUPAC name is 4-[(5-bromo-4-ethoxyindazol-2-yl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-bromo-4-ethoxyindazol-2-yl)methyl]piperidine-1-carboxylic acid
PubChem CID141372506
Molecular FormulaC16H20BrN3O3
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC Name4-[(5-bromo-4-ethoxyindazol-2-yl)methyl]piperidine-1-carboxylic acid
SMILESCCOc1c(Br)ccc2nn(CC3CCN(C(=O)O)CC3)cc12
InChIInChI=1S/C16H20BrN3O3/c1-2-23-15-12-10-20(18-14(12)4-3-13(15)17)9-11-5-7-19(8-6-11)16(21)22/h3-4,10-11H,2,5-9H2,1H3,(H,21,22)
InChIKeyMWXZSATVXGUBJN-UHFFFAOYSA-N
XLogP3.59
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]-4-methylindazol-5-yl]-4-methoxybutan-1-one
CID 149202889
4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 146381080
4-[(6-amino-8-bromo-2-butoxypurin-9-yl)methyl]piperidine-1-carboxylic acid
CID 143428565
(4-benzylpiperidin-1-yl)-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone
CID 35510412
4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 174878314
2-[[1-(4-bromobenzoyl)piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide
CID 71582539
1-[2-[[1-(4-cyclopropylbenzoyl)piperidin-4-yl]methyl]-4-methylindazol-5-yl]-4-methoxybutan-1-one
CID 160980692
methyl 2-(4-bromoindazol-2-yl)acetate
CID 131383868
1-[4-[[4-(difluoromethoxy)-5-(4-methoxybutanoyl)indazol-2-yl]methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 162170969
4-methyl-N-pentyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide
CID 150691537
[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-phenylmethanone
CID 33362988
4-methoxy-1-[4-methyl-2-[[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methyl]indazol-5-yl]butan-1-one
CID 162125914

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-4-ethoxyindazol-2-yl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(5-bromo-4-ethoxyindazol-2-yl)methyl]piperidine-1-carboxylic acid (CID 141372506) is 4-[(5-bromo-4-ethoxyindazol-2-yl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(5-bromo-4-ethoxyindazol-2-yl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(5-bromo-4-ethoxyindazol-2-yl)methyl]piperidine-1-carboxylic acid is CCOc1c(Br)ccc2nn(CC3CCN(C(=O)O)CC3)cc12.
What is the InChIKey of 4-[(5-bromo-4-ethoxyindazol-2-yl)methyl]piperidine-1-carboxylic acid?
The InChIKey is MWXZSATVXGUBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3/c1-2-23-15-12-10-20(18-14(12)4-3-13(15)17)9-11-5-7-19(8-6-11)16(21)22/h3-4,10-11H,2,5-9H2,1H3,(H,21,22).
What are the key properties of 4-[(5-bromo-4-ethoxyindazol-2-yl)methyl]piperidine-1-carboxylic acid?
4-[(5-bromo-4-ethoxyindazol-2-yl)methyl]piperidine-1-carboxylic acid has a molecular weight of 382.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-4-ethoxyindazol-2-yl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 141372506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).