N-[4-methoxy-5-[(4-methylpiperidin-1-yl)methoxy]-2-nitrophenyl]acetamide

C16H23N3O5 — CID 67106627

IUPACN-[4-methoxy-5-[(4-methylpiperidin-1-yl)methoxy]-2-nitrophenyl]acetamide
SMILESCOc1cc([N+](=O)[O-])c(NC(C)=O)cc1OCN1CCC(C)CC1
InChIInChI=1S/C16H23N3O5/c1-11-4-6-18(7-5-11)10-24-16-8-13(17-12(2)20)14(19(21)22)9-15(16)23-3/h8-9,11H,4-7,10H2,1-3H3,(H,17,20)
InChIKeyVABFNNLIPPPKPJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.63
Rot. Bonds6

About N-[4-methoxy-5-[(4-methylpiperidin-1-yl)methoxy]-2-nitrophenyl]acetamide

N-[4-methoxy-5-[(4-methylpiperidin-1-yl)methoxy]-2-nitrophenyl]acetamide (PubChem CID 67106627) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[4-methoxy-5-[(4-methylpiperidin-1-yl)methoxy]-2-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-5-[(4-methylpiperidin-1-yl)methoxy]-2-nitrophenyl]acetamide
PubChem CID67106627
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC NameN-[4-methoxy-5-[(4-methylpiperidin-1-yl)methoxy]-2-nitrophenyl]acetamide
SMILESCOc1cc([N+](=O)[O-])c(NC(C)=O)cc1OCN1CCC(C)CC1
InChIInChI=1S/C16H23N3O5/c1-11-4-6-18(7-5-11)10-24-16-8-13(17-12(2)20)14(19(21)22)9-15(16)23-3/h8-9,11H,4-7,10H2,1-3H3,(H,17,20)
InChIKeyVABFNNLIPPPKPJ-UHFFFAOYSA-N
XLogP2.63
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.63
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

4-acetamido-2-methoxy-5-nitro-N-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 12821281
methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate
CID 110459513
N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide
CID 110444205
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate
CID 9124779
4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]-3-nitrobenzamide
CID 35416343
N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide
CID 71409389
3-(4,5-dimethoxy-2-nitrophenyl)-1,1-diethylurea
CID 110445111
N-(4,5-dimethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 110443180
4-(difluoromethoxy)-5-methoxy-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-nitrobenzamide
CID 46585013
4-acetamido-2-methoxy-5-nitro-N-[1-(1-phenylethyl)piperidin-4-yl]benzamide
CID 19828536
N-(2,5-dimethoxy-4-nitrophenyl)cyclopropanecarboxamide
CID 18524507
N-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2959932

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-5-[(4-methylpiperidin-1-yl)methoxy]-2-nitrophenyl]acetamide?
The IUPAC name of N-[4-methoxy-5-[(4-methylpiperidin-1-yl)methoxy]-2-nitrophenyl]acetamide (CID 67106627) is N-[4-methoxy-5-[(4-methylpiperidin-1-yl)methoxy]-2-nitrophenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-5-[(4-methylpiperidin-1-yl)methoxy]-2-nitrophenyl]acetamide?
The canonical SMILES for N-[4-methoxy-5-[(4-methylpiperidin-1-yl)methoxy]-2-nitrophenyl]acetamide is COc1cc([N+](=O)[O-])c(NC(C)=O)cc1OCN1CCC(C)CC1.
What is the InChIKey of N-[4-methoxy-5-[(4-methylpiperidin-1-yl)methoxy]-2-nitrophenyl]acetamide?
The InChIKey is VABFNNLIPPPKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-11-4-6-18(7-5-11)10-24-16-8-13(17-12(2)20)14(19(21)22)9-15(16)23-3/h8-9,11H,4-7,10H2,1-3H3,(H,17,20).
What are the key properties of N-[4-methoxy-5-[(4-methylpiperidin-1-yl)methoxy]-2-nitrophenyl]acetamide?
N-[4-methoxy-5-[(4-methylpiperidin-1-yl)methoxy]-2-nitrophenyl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-5-[(4-methylpiperidin-1-yl)methoxy]-2-nitrophenyl]acetamide is sourced from PubChem (CID 67106627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).