2-[4-(3-methoxy-2-nitroanilino)piperidin-1-yl]-N-methylacetamide

C15H22N4O4 — CID 122144880

IUPAC2-[4-(3-methoxy-2-nitroanilino)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(Nc2cccc(OC)c2[N+](=O)[O-])CC1
InChIInChI=1S/C15H22N4O4/c1-16-14(20)10-18-8-6-11(7-9-18)17-12-4-3-5-13(23-2)15(12)19(21)22/h3-5,11,17H,6-10H2,1-2H3,(H,16,20)
InChIKeyNYRYDLNBBCAFSA-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.23
Rot. Bonds6

About 2-[4-(3-methoxy-2-nitroanilino)piperidin-1-yl]-N-methylacetamide

2-[4-(3-methoxy-2-nitroanilino)piperidin-1-yl]-N-methylacetamide (PubChem CID 122144880) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[4-(3-methoxy-2-nitroanilino)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3-methoxy-2-nitroanilino)piperidin-1-yl]-N-methylacetamide
PubChem CID122144880
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name2-[4-(3-methoxy-2-nitroanilino)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(Nc2cccc(OC)c2[N+](=O)[O-])CC1
InChIInChI=1S/C15H22N4O4/c1-16-14(20)10-18-8-6-11(7-9-18)17-12-4-3-5-13(23-2)15(12)19(21)22/h3-5,11,17H,6-10H2,1-2H3,(H,16,20)
InChIKeyNYRYDLNBBCAFSA-UHFFFAOYSA-N
XLogP1.23
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
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

ethyl 4-(3-methoxy-2-nitroanilino)piperidine-1-carboxylate
CID 69177022
methyl 2-[4-(2-methoxyanilino)piperidin-1-yl]acetate
CID 71857529
2-[4-(2-methoxyanilino)piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 10735928
N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 32884003
(3,4-dimethoxyphenyl)-[4-(3-fluoro-2-nitroanilino)piperidin-1-yl]methanone
CID 133307998
2-nitro-3-[(1-propylpiperidin-4-yl)amino]benzonitrile
CID 104717791
N-(3-methoxy-2-nitrophenyl)-2-methyloxan-4-amine
CID 104918098
2-[4-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]piperidin-1-yl]-N-methylacetamide
CID 164870310
tert-butyl 4-(3-fluoro-2-nitroanilino)piperidine-1-carboxylate
CID 53255496
N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine
CID 4646578
tert-butyl 4-(3-chloro-2-nitroanilino)piperidine-1-carboxylate
CID 130431417
N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922615

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxy-2-nitroanilino)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(3-methoxy-2-nitroanilino)piperidin-1-yl]-N-methylacetamide (CID 122144880) is 2-[4-(3-methoxy-2-nitroanilino)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(3-methoxy-2-nitroanilino)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(3-methoxy-2-nitroanilino)piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(Nc2cccc(OC)c2[N+](=O)[O-])CC1.
What is the InChIKey of 2-[4-(3-methoxy-2-nitroanilino)piperidin-1-yl]-N-methylacetamide?
The InChIKey is NYRYDLNBBCAFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-16-14(20)10-18-8-6-11(7-9-18)17-12-4-3-5-13(23-2)15(12)19(21)22/h3-5,11,17H,6-10H2,1-2H3,(H,16,20).
What are the key properties of 2-[4-(3-methoxy-2-nitroanilino)piperidin-1-yl]-N-methylacetamide?
2-[4-(3-methoxy-2-nitroanilino)piperidin-1-yl]-N-methylacetamide has a molecular weight of 322.37 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxy-2-nitroanilino)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 122144880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).