3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide

C22H25N3O2 — CID 97427806

IUPAC3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide
SMILESCO[C@H]1CCCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)C1
InChIInChI=1S/C22H25N3O2/c1-27-21-3-2-14-25(16-21)20-11-9-19(10-12-20)24-22(26)13-8-17-4-6-18(15-23)7-5-17/h4-7,9-12,21H,2-3,8,13-14,16H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyUMTKDOHWQRAILG-NRFANRHFSA-N
MW363.46 g/mol
LogP3.74
Rot. Bonds6

About 3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide

3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide (PubChem CID 97427806) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide
PubChem CID97427806
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide
SMILESCO[C@H]1CCCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)C1
InChIInChI=1S/C22H25N3O2/c1-27-21-3-2-14-25(16-21)20-11-9-19(10-12-20)24-22(26)13-8-17-4-6-18(15-23)7-5-17/h4-7,9-12,21H,2-3,8,13-14,16H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyUMTKDOHWQRAILG-NRFANRHFSA-N
XLogP3.74
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide 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-(4-cyanophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 71809777
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide
CID 121141566
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide
CID 71809774
3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 121141552
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-phenylmethoxyphenyl)propanamide
CID 121141530
2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141569
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427776
N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110651342
3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
CID 71809576
3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
CID 90595367
2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141474

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide (CID 97427806) is 3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide is CO[C@H]1CCCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)C1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide?
The InChIKey is UMTKDOHWQRAILG-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-27-21-3-2-14-25(16-21)20-11-9-19(10-12-20)24-22(26)13-8-17-4-6-18(15-23)7-5-17/h4-7,9-12,21H,2-3,8,13-14,16H2,1H3,(H,24,26)/t21-/m0/s1.
What are the key properties of 3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide?
3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide is sourced from PubChem (CID 97427806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).