N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide

C14H17N3O2 — CID 43708772

IUPACN-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide
SMILESN#CCOc1cccc(NC(=O)C2CCNCC2)c1
InChIInChI=1S/C14H17N3O2/c15-6-9-19-13-3-1-2-12(10-13)17-14(18)11-4-7-16-8-5-11/h1-3,10-11,16H,4-5,7-9H2,(H,17,18)
InChIKeyWYBWMASTRBGZKW-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.53
Rot. Bonds4

About N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide

N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 43708772) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide
PubChem CID43708772
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide
SMILESN#CCOc1cccc(NC(=O)C2CCNCC2)c1
InChIInChI=1S/C14H17N3O2/c15-6-9-19-13-3-1-2-12(10-13)17-14(18)11-4-7-16-8-5-11/h1-3,10-11,16H,4-5,7-9H2,(H,17,18)
InChIKeyWYBWMASTRBGZKW-UHFFFAOYSA-N
XLogP1.53
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide
CID 63044296
N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79776862
N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119303115
5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102687992
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
[3-(cyanomethoxy)phenyl]urea
CID 43369607
N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide
CID 54794430
N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide
CID 43369129
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
1-[3-(cyanomethoxy)phenyl]-3-(4-methylcyclohexyl)urea
CID 51116767

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide (CID 43708772) is N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide is N#CCOc1cccc(NC(=O)C2CCNCC2)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is WYBWMASTRBGZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-6-9-19-13-3-1-2-12(10-13)17-14(18)11-4-7-16-8-5-11/h1-3,10-11,16H,4-5,7-9H2,(H,17,18).
What are the key properties of N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide?
N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43708772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).