4-(methoxymethyl)-N-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxamide;hydrochloride

C16H24ClN3O4 — CID 120635947

IUPAC4-(methoxymethyl)-N-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCNCC1.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-23-12-16(7-10-17-11-8-16)15(20)18-9-6-13-4-2-3-5-14(13)19(21)22;/h2-5,17H,6-12H2,1H3,(H,18,20);1H
InChIKeyZFZQGCYYEQFVBW-UHFFFAOYSA-N
MW357.84 g/mol
LogP1.69
Rot. Bonds7

About 4-(methoxymethyl)-N-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxamide;hydrochloride

4-(methoxymethyl)-N-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120635947) has the molecular formula C16H24ClN3O4 and a molecular weight of 357.84 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120635947
Molecular FormulaC16H24ClN3O4
Molecular Weight357.84 g/mol
Exact Mass357.15
IUPAC Name4-(methoxymethyl)-N-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCNCC1.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-23-12-16(7-10-17-11-8-16)15(20)18-9-6-13-4-2-3-5-14(13)19(21)22;/h2-5,17H,6-12H2,1H3,(H,18,20);1H
InChIKeyZFZQGCYYEQFVBW-UHFFFAOYSA-N
XLogP1.69
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-(methoxymethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120633664
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692
4-(methoxymethyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618108
N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620352
N-(3-anilino-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120632986
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120618096
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120640361
2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119802904
N-[2-(3,5-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120628206
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide
CID 119802905

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxamide;hydrochloride (CID 120635947) is 4-(methoxymethyl)-N-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is ZFZQGCYYEQFVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4.ClH/c1-23-12-16(7-10-17-11-8-16)15(20)18-9-6-13-4-2-3-5-14(13)19(21)22;/h2-5,17H,6-12H2,1H3,(H,18,20);1H.
What are the key properties of 4-(methoxymethyl)-N-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 357.84 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120635947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).