4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide

C15H19N3O3 — CID 177120927

IUPAC4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide
SMILES[C-]#[N+]c1c(OC)cc(C(=O)NC2CCCNC2)cc1OC
InChIInChI=1S/C15H19N3O3/c1-16-14-12(20-2)7-10(8-13(14)21-3)15(19)18-11-5-4-6-17-9-11/h7-8,11,17H,4-6,9H2,2-3H3,(H,18,19)
InChIKeySYOAZFOVKGLPLF-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.74
Rot. Bonds4

About 4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide

4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide (PubChem CID 177120927) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide
PubChem CID177120927
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide
SMILES[C-]#[N+]c1c(OC)cc(C(=O)NC2CCCNC2)cc1OC
InChIInChI=1S/C15H19N3O3/c1-16-14-12(20-2)7-10(8-13(14)21-3)15(19)18-11-5-4-6-17-9-11/h7-8,11,17H,4-6,9H2,2-3H3,(H,18,19)
InChIKeySYOAZFOVKGLPLF-UHFFFAOYSA-N
XLogP1.74
TPSA63.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
3,5-dimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424226
2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426612
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
CID 119428031
4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426527
4-methoxy-3-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866718
4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide
CID 119425018
3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide
CID 119425199
3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426236
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384
4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 89192588
3-methoxy-5-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119428596

Frequently Asked Questions

What is the IUPAC name of 4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide?
The IUPAC name of 4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide (CID 177120927) is 4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide?
The canonical SMILES for 4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide is [C-]#[N+]c1c(OC)cc(C(=O)NC2CCCNC2)cc1OC.
What is the InChIKey of 4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide?
The InChIKey is SYOAZFOVKGLPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-16-14-12(20-2)7-10(8-13(14)21-3)15(19)18-11-5-4-6-17-9-11/h7-8,11,17H,4-6,9H2,2-3H3,(H,18,19).
What are the key properties of 4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide?
4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide has a molecular weight of 289.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 177120927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).