N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide

C18H25N3O3 — CID 118768650

IUPACN-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide
SMILESCCCOC1CCCN(C(=O)Nc2ccc(OCC)c(C#N)c2)C1
InChIInChI=1S/C18H25N3O3/c1-3-10-24-16-6-5-9-21(13-16)18(22)20-15-7-8-17(23-4-2)14(11-15)12-19/h7-8,11,16H,3-6,9-10,13H2,1-2H3,(H,20,22)
InChIKeyWAYKBTSVVFNBQO-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.38
Rot. Bonds6

About N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide

N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide (PubChem CID 118768650) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide
PubChem CID118768650
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide
SMILESCCCOC1CCCN(C(=O)Nc2ccc(OCC)c(C#N)c2)C1
InChIInChI=1S/C18H25N3O3/c1-3-10-24-16-6-5-9-21(13-16)18(22)20-15-7-8-17(23-4-2)14(11-15)12-19/h7-8,11,16H,3-6,9-10,13H2,1-2H3,(H,20,22)
InChIKeyWAYKBTSVVFNBQO-UHFFFAOYSA-N
XLogP3.38
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-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

(3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide
CID 97455461
3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
CID 47749624
(3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide
CID 97270143
N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 118769323
N-(3-cyano-4-ethoxyphenyl)-4-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,4-diazepane-1-carboxamide
CID 133114043
(3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide
CID 97443914
N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide
CID 47197599
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122074194
N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide
CID 47197271
methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate
CID 95198757
N-[6-(3-methoxyphenoxy)-3-pyridinyl]-3-propoxypiperidine-1-carboxamide
CID 72846235
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide?
The IUPAC name of N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide (CID 118768650) is N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide.
What is the SMILES notation for N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide?
The canonical SMILES for N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide is CCCOC1CCCN(C(=O)Nc2ccc(OCC)c(C#N)c2)C1.
What is the InChIKey of N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide?
The InChIKey is WAYKBTSVVFNBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-10-24-16-6-5-9-21(13-16)18(22)20-15-7-8-17(23-4-2)14(11-15)12-19/h7-8,11,16H,3-6,9-10,13H2,1-2H3,(H,20,22).
What are the key properties of N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide?
N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide is sourced from PubChem (CID 118768650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).