2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide

C16H21N5O4 — CID 47060658

IUPAC2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide
SMILESCOCC(=O)NC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1
InChIInChI=1S/C16H21N5O4/c1-25-10-16(22)18-13-4-6-19(7-5-13)11-20-15-3-2-14(21(23)24)8-12(15)9-17-20/h2-3,8-9,13H,4-7,10-11H2,1H3,(H,18,22)
InChIKeyIAKKOPMLQCEMQK-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.13
Rot. Bonds6

About 2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide

2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 47060658) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide
PubChem CID47060658
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide
SMILESCOCC(=O)NC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1
InChIInChI=1S/C16H21N5O4/c1-25-10-16(22)18-13-4-6-19(7-5-13)11-20-15-3-2-14(21(23)24)8-12(15)9-17-20/h2-3,8-9,13H,4-7,10-11H2,1H3,(H,18,22)
InChIKeyIAKKOPMLQCEMQK-UHFFFAOYSA-N
XLogP1.13
TPSA102.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

ethyl 1-[(5-nitroindazol-1-yl)methyl]piperidine-4-carboxylate
CID 29427718
(2,4-dimethylphenyl)-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]methanone
CID 32794355
2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide
CID 47054291
1-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-nitroindazole
CID 35956497
2-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 46665054
1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-nitroindazole
CID 29427799
(3R)-1-[(5-nitroindazol-1-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 35976837
2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide
CID 47060708
N-[[1-[(5-nitroindazol-1-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 47044490
methane;methyl 5-nitroindazole-1-carboxylate
CID 175242538
1-(1-ethylpiperidin-4-yl)-5-nitroindazole
CID 68610601
1-[(2R)-2-methoxypropyl]-5-nitroindazole
CID 141387350

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide (CID 47060658) is 2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide is COCC(=O)NC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1.
What is the InChIKey of 2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is IAKKOPMLQCEMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-25-10-16(22)18-13-4-6-19(7-5-13)11-20-15-3-2-14(21(23)24)8-12(15)9-17-20/h2-3,8-9,13H,4-7,10-11H2,1H3,(H,18,22).
What are the key properties of 2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide?
2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 347.38 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 47060658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).