2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide

C15H19N5O3 — CID 47060708

IUPAC2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1
InChIInChI=1S/C15H19N5O3/c16-15(21)7-11-3-5-18(6-4-11)10-19-14-8-13(20(22)23)2-1-12(14)9-17-19/h1-2,8-9,11H,3-7,10H2,(H2,16,21)
InChIKeyIBVNPLMRMLPAFH-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.49
Rot. Bonds5

About 2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide

2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 47060708) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide
PubChem CID47060708
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1
InChIInChI=1S/C15H19N5O3/c16-15(21)7-11-3-5-18(6-4-11)10-19-14-8-13(20(22)23)2-1-12(14)9-17-19/h1-2,8-9,11H,3-7,10H2,(H2,16,21)
InChIKeyIBVNPLMRMLPAFH-UHFFFAOYSA-N
XLogP1.49
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-methyl-1-[(6-nitroindazol-1-yl)methyl]piperidine-4-carboxamide
CID 47060778
ethyl 1-[(5-nitroindazol-1-yl)methyl]piperidine-4-carboxylate
CID 29427718
1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol
CID 112560077
2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide
CID 47060658
2-[1-(2-amino-4-nitrophenyl)piperidin-4-yl]acetamide
CID 62506641
(2,4-dimethylphenyl)-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]methanone
CID 32794355
5-[(6-nitroindazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397374
1-(6-nitroindazol-1-yl)butan-2-ol
CID 60884485
1-(1-ethylpiperidin-4-yl)-6-nitroindazole
CID 68609478
2-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 46665054
1-(5-chloropentyl)-6-nitroindazole
CID 43348333
(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
CID 106932950

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide (CID 47060708) is 2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1.
What is the InChIKey of 2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is IBVNPLMRMLPAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c16-15(21)7-11-3-5-18(6-4-11)10-19-14-8-13(20(22)23)2-1-12(14)9-17-19/h1-2,8-9,11H,3-7,10H2,(H2,16,21).
What are the key properties of 2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide?
2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 317.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 47060708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).