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

C21H25N3O4 — CID 121141566

IUPACN-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide
SMILESCOC1CCCN(c2ccc(NC(=O)CCc3ccc([N+](=O)[O-])cc3)cc2)C1
InChIInChI=1S/C21H25N3O4/c1-28-20-3-2-14-23(15-20)18-11-7-17(8-12-18)22-21(25)13-6-16-4-9-19(10-5-16)24(26)27/h4-5,7-12,20H,2-3,6,13-15H2,1H3,(H,22,25)
InChIKeyQHIKUWRAUVZEJR-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.78
Rot. Bonds7

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

N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide (PubChem CID 121141566) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide
PubChem CID121141566
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide
SMILESCOC1CCCN(c2ccc(NC(=O)CCc3ccc([N+](=O)[O-])cc3)cc2)C1
InChIInChI=1S/C21H25N3O4/c1-28-20-3-2-14-23(15-20)18-11-7-17(8-12-18)22-21(25)13-6-16-4-9-19(10-5-16)24(26)27/h4-5,7-12,20H,2-3,6,13-15H2,1H3,(H,22,25)
InChIKeyQHIKUWRAUVZEJR-UHFFFAOYSA-N
XLogP3.78
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)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
3-(4-cyanophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]propanamide
CID 97427806
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
3-(3-bromo-4-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
CID 90595367
3-(4-chloro-3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]propanamide
CID 71809576
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 71809763
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide
CID 97427535

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide?
The IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide (CID 121141566) is N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide.
What is the SMILES notation for N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide?
The canonical SMILES for N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide is COC1CCCN(c2ccc(NC(=O)CCc3ccc([N+](=O)[O-])cc3)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide?
The InChIKey is QHIKUWRAUVZEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-28-20-3-2-14-23(15-20)18-11-7-17(8-12-18)22-21(25)13-6-16-4-9-19(10-5-16)24(26)27/h4-5,7-12,20H,2-3,6,13-15H2,1H3,(H,22,25).
What are the key properties of N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide?
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide has a molecular weight of 383.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-nitrophenyl)propanamide is sourced from PubChem (CID 121141566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).