N-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide

C20H23N3O5 — CID 7409582

IUPACN-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(OC)c1
InChIInChI=1S/C20H23N3O5/c1-27-16-11-15(12-17(13-16)28-2)21-20(24)14-6-7-18(19(10-14)23(25)26)22-8-4-3-5-9-22/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,21,24)
InChIKeyHGPBZRDQMYKTTM-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.85
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide

N-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide (PubChem CID 7409582) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide
PubChem CID7409582
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(OC)c1
InChIInChI=1S/C20H23N3O5/c1-27-16-11-15(12-17(13-16)28-2)21-20(24)14-6-7-18(19(10-14)23(25)26)22-8-4-3-5-9-22/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,21,24)
InChIKeyHGPBZRDQMYKTTM-UHFFFAOYSA-N
XLogP3.85
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.85
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-(3,5-dimethoxyphenyl)-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide
CID 7922620
dimethyl 5-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 2946986
N-(4-methoxy-3-nitrophenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 3979125
N-(4-acetylphenyl)-4-(azepan-1-yl)-3-nitrobenzamide
CID 7406902
N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2964862
3-nitro-4-piperidin-1-yl-N-[4-(propanoylamino)phenyl]benzamide
CID 3307696
3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide
CID 4806694
N-(4-benzamidophenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 4510251
N-(4-carbamoylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 26253023
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 37258902
3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 38854366
3-nitro-N-[4-(phenylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylbenzamide
CID 55527532

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide (CID 7409582) is N-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide is COc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide?
The InChIKey is HGPBZRDQMYKTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-27-16-11-15(12-17(13-16)28-2)21-20(24)14-6-7-18(19(10-14)23(25)26)22-8-4-3-5-9-22/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,21,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide?
N-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide has a molecular weight of 385.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 7409582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).