[1-(5-amino-3-iodo-2-methylindazol-4-yl)piperidin-3-yl]carbamic acid

C14H18IN5O2 — CID 139413882

IUPAC[1-(5-amino-3-iodo-2-methylindazol-4-yl)piperidin-3-yl]carbamic acid
SMILESCn1nc2ccc(N)c(N3CCCC(NC(=O)O)C3)c2c1I
InChIInChI=1S/C14H18IN5O2/c1-19-13(15)11-10(18-19)5-4-9(16)12(11)20-6-2-3-8(7-20)17-14(21)22/h4-5,8,17H,2-3,6-7,16H2,1H3,(H,21,22)
InChIKeyADYZLLNPEKQPJT-UHFFFAOYSA-N
MW415.24 g/mol
LogP2.00
Rot. Bonds2

About [1-(5-amino-3-iodo-2-methylindazol-4-yl)piperidin-3-yl]carbamic acid

[1-(5-amino-3-iodo-2-methylindazol-4-yl)piperidin-3-yl]carbamic acid (PubChem CID 139413882) has the molecular formula C14H18IN5O2 and a molecular weight of 415.24 g/mol. Its IUPAC name is [1-(5-amino-3-iodo-2-methylindazol-4-yl)piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-(5-amino-3-iodo-2-methylindazol-4-yl)piperidin-3-yl]carbamic acid
PubChem CID139413882
Molecular FormulaC14H18IN5O2
Molecular Weight415.24 g/mol
Exact Mass415.05
IUPAC Name[1-(5-amino-3-iodo-2-methylindazol-4-yl)piperidin-3-yl]carbamic acid
SMILESCn1nc2ccc(N)c(N3CCCC(NC(=O)O)C3)c2c1I
InChIInChI=1S/C14H18IN5O2/c1-19-13(15)11-10(18-19)5-4-9(16)12(11)20-6-2-3-8(7-20)17-14(21)22/h4-5,8,17H,2-3,6-7,16H2,1H3,(H,21,22)
InChIKeyADYZLLNPEKQPJT-UHFFFAOYSA-N
XLogP2.00
TPSA96.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.24
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid
CID 90279325
[1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid
CID 70982126
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
[(3S)-1-(2-methoxy-3,4-dioxocyclobuten-1-yl)piperidin-3-yl]carbamic acid
CID 87600320
[1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid
CID 67456245
[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid
CID 135281348
N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide
CID 145270654
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
N-[1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]acetamide
CID 84600217
tert-butyl N-[1-(5-amino-7-iodo-1-methylindazol-4-yl)piperidin-3-yl]carbamate
CID 139414082
N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124519191

Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-3-iodo-2-methylindazol-4-yl)piperidin-3-yl]carbamic acid?
The IUPAC name of [1-(5-amino-3-iodo-2-methylindazol-4-yl)piperidin-3-yl]carbamic acid (CID 139413882) is [1-(5-amino-3-iodo-2-methylindazol-4-yl)piperidin-3-yl]carbamic acid.
What is the SMILES notation for [1-(5-amino-3-iodo-2-methylindazol-4-yl)piperidin-3-yl]carbamic acid?
The canonical SMILES for [1-(5-amino-3-iodo-2-methylindazol-4-yl)piperidin-3-yl]carbamic acid is Cn1nc2ccc(N)c(N3CCCC(NC(=O)O)C3)c2c1I.
What is the InChIKey of [1-(5-amino-3-iodo-2-methylindazol-4-yl)piperidin-3-yl]carbamic acid?
The InChIKey is ADYZLLNPEKQPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN5O2/c1-19-13(15)11-10(18-19)5-4-9(16)12(11)20-6-2-3-8(7-20)17-14(21)22/h4-5,8,17H,2-3,6-7,16H2,1H3,(H,21,22).
What are the key properties of [1-(5-amino-3-iodo-2-methylindazol-4-yl)piperidin-3-yl]carbamic acid?
[1-(5-amino-3-iodo-2-methylindazol-4-yl)piperidin-3-yl]carbamic acid has a molecular weight of 415.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-3-iodo-2-methylindazol-4-yl)piperidin-3-yl]carbamic acid is sourced from PubChem (CID 139413882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).