4-amino-5-chloro-N-(3-methoxypiperidin-4-yl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide

C16H22ClN3O3 — CID 15839755

IUPAC4-amino-5-chloro-N-(3-methoxypiperidin-4-yl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCOC1CNCCC1NC(=O)c1cc(Cl)c(N)c2c1OC(C)C2
InChIInChI=1S/C16H22ClN3O3/c1-8-5-9-14(18)11(17)6-10(15(9)23-8)16(21)20-12-3-4-19-7-13(12)22-2/h6,8,12-13,19H,3-5,7,18H2,1-2H3,(H,20,21)
InChIKeyISRADXLYAUKIFL-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.35
Rot. Bonds3

About 4-amino-5-chloro-N-(3-methoxypiperidin-4-yl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide

4-amino-5-chloro-N-(3-methoxypiperidin-4-yl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 15839755) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 4-amino-5-chloro-N-(3-methoxypiperidin-4-yl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-(3-methoxypiperidin-4-yl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID15839755
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name4-amino-5-chloro-N-(3-methoxypiperidin-4-yl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCOC1CNCCC1NC(=O)c1cc(Cl)c(N)c2c1OC(C)C2
InChIInChI=1S/C16H22ClN3O3/c1-8-5-9-14(18)11(17)6-10(15(9)23-8)16(21)20-12-3-4-19-7-13(12)22-2/h6,8,12-13,19H,3-5,7,18H2,1-2H3,(H,20,21)
InChIKeyISRADXLYAUKIFL-UHFFFAOYSA-N
XLogP1.35
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-5-chloro-N-(3-methoxypiperidin-4-yl)-2-methyl-2,3-dihydro-1-benzofuran-7-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

4-amino-5-chloro-N-[(3S,4R)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 54178667
4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 139656076
4-amino-5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-[(2S)-pent-3-yn-2-yl]oxybenzamide;hydrochloride
CID 69232530
2-methoxy-N-[(3R,4S)-3-methoxypiperidin-4-yl]benzamide
CID 58025543
5-chloro-N-[(3R,4S)-3-methoxypiperidin-4-yl]-2-phenoxybenzamide
CID 67928776
N-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 54389521
4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide
CID 53429651
4-amino-N-[(3S,4R)-1-(4-aminobutyl)-3-methoxypiperidin-4-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide
CID 54151467
3-chloro-4-iodo-N-(3-methoxypiperidin-4-yl)-5-methyl-1H-pyrrole-2-carboxamide
CID 70868860
2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
CID 43594211
2-[(3S,4R)-4-[(4-amino-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carbonyl)amino]-3-methoxypiperidin-1-yl]ethylcarbamic acid
CID 67563298
tert-butyl N-(3-methoxypiperidin-4-yl)carbamate
CID 76599311

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-(3-methoxypiperidin-4-yl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of 4-amino-5-chloro-N-(3-methoxypiperidin-4-yl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide (CID 15839755) is 4-amino-5-chloro-N-(3-methoxypiperidin-4-yl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for 4-amino-5-chloro-N-(3-methoxypiperidin-4-yl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for 4-amino-5-chloro-N-(3-methoxypiperidin-4-yl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide is COC1CNCCC1NC(=O)c1cc(Cl)c(N)c2c1OC(C)C2.
What is the InChIKey of 4-amino-5-chloro-N-(3-methoxypiperidin-4-yl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is ISRADXLYAUKIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-8-5-9-14(18)11(17)6-10(15(9)23-8)16(21)20-12-3-4-19-7-13(12)22-2/h6,8,12-13,19H,3-5,7,18H2,1-2H3,(H,20,21).
What are the key properties of 4-amino-5-chloro-N-(3-methoxypiperidin-4-yl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide?
4-amino-5-chloro-N-(3-methoxypiperidin-4-yl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 339.82 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-(3-methoxypiperidin-4-yl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 15839755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).