N-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

C20H24N4O4 — CID 37487616

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCCOc1ncccc1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C20H24N4O4/c1-2-28-20-16(6-5-11-21-20)14-22-19(25)15-9-12-23(13-10-15)17-7-3-4-8-18(17)24(26)27/h3-8,11,15H,2,9-10,12-14H2,1H3,(H,22,25)
InChIKeyDAWMSYPRAHESAB-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.92
Rot. Bonds7

About N-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

N-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 37487616) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
PubChem CID37487616
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCCOc1ncccc1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C20H24N4O4/c1-2-28-20-16(6-5-11-21-20)14-22-19(25)15-9-12-23(13-10-15)17-7-3-4-8-18(17)24(26)27/h3-8,11,15H,2,9-10,12-14H2,1H3,(H,22,25)
InChIKeyDAWMSYPRAHESAB-UHFFFAOYSA-N
XLogP2.92
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.92
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-[2-(4-ethoxyphenoxy)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9022621
N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 27659238
N-[(6-methyl-2-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 87041286
N-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 35031896
1-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 55933323
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 46579766
1-(2-nitrophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 55619983
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55812319
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55728023
1-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 51326573
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 26861360

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide (CID 37487616) is N-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide is CCOc1ncccc1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is DAWMSYPRAHESAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-2-28-20-16(6-5-11-21-20)14-22-19(25)15-9-12-23(13-10-15)17-7-3-4-8-18(17)24(26)27/h3-8,11,15H,2,9-10,12-14H2,1H3,(H,22,25).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 37487616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).