(3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide

C19H27N3O3 — CID 95604416

IUPAC(3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
SMILESCOCCN(C)C(=O)[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1
InChIInChI=1S/C19H27N3O3/c1-21(10-12-24-2)19(23)17-4-3-9-22(15-17)11-13-25-18-7-5-16(14-20)6-8-18/h5-8,17H,3-4,9-13,15H2,1-2H3/t17-/m0/s1
InChIKeyGOILSEBBCBYAQX-KRWDZBQOSA-N
MW345.44 g/mol
LogP1.75
Rot. Bonds8

About (3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide

(3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide (PubChem CID 95604416) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
PubChem CID95604416
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
SMILESCOCCN(C)C(=O)[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1
InChIInChI=1S/C19H27N3O3/c1-21(10-12-24-2)19(23)17-4-3-9-22(15-17)11-13-25-18-7-5-16(14-20)6-8-18/h5-8,17H,3-4,9-13,15H2,1-2H3/t17-/m0/s1
InChIKeyGOILSEBBCBYAQX-KRWDZBQOSA-N
XLogP1.75
TPSA65.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-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

methyl (3S)-1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxylate
CID 79037643
1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxamide
CID 43213972
N-(2-methoxyethyl)-N-methyl-1-propylpiperidine-3-carboxamide
CID 59535798
1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide
CID 42926355
[1-[2-(4-cyanophenoxy)ethyl]piperidin-3-yl] carbamate
CID 70421145
4-[2-[3-(methylaminomethyl)piperidin-1-yl]ethoxy]benzonitrile
CID 61203832
(2R)-1-[2-(4-cyanophenoxy)ethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 34929966
1-(3-chloro-4-cyanophenyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 75370563
(3S)-1-(3-chloro-4-cyanophenyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 97212209
4-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethoxy]benzonitrile
CID 49235694
2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63211324
(3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 31793508

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide (CID 95604416) is (3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide is COCCN(C)C(=O)[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1.
What is the InChIKey of (3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is GOILSEBBCBYAQX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-21(10-12-24-2)19(23)17-4-3-9-22(15-17)11-13-25-18-7-5-16(14-20)6-8-18/h5-8,17H,3-4,9-13,15H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide?
(3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-cyanophenoxy)ethyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95604416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).