N-[1-(2-aminoethyl)-3-methoxypiperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide

C19H28ClN3O3 — CID 67565287

IUPACN-[1-(2-aminoethyl)-3-methoxypiperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
SMILESCOC1CN(CCN)CCC1NC(=O)c1cc(Cl)cc2c1OC(C)(C)C2
InChIInChI=1S/C19H28ClN3O3/c1-19(2)10-12-8-13(20)9-14(17(12)26-19)18(24)22-15-4-6-23(7-5-21)11-16(15)25-3/h8-9,15-16H,4-7,10-11,21H2,1-3H3,(H,22,24)
InChIKeyWJRLICNNTFTSKZ-UHFFFAOYSA-N
MW381.90 g/mol
LogP1.83
Rot. Bonds5

About N-[1-(2-aminoethyl)-3-methoxypiperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide

N-[1-(2-aminoethyl)-3-methoxypiperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide (PubChem CID 67565287) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)-3-methoxypiperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[1-(2-aminoethyl)-3-methoxypiperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
PubChem CID67565287
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC NameN-[1-(2-aminoethyl)-3-methoxypiperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
SMILESCOC1CN(CCN)CCC1NC(=O)c1cc(Cl)cc2c1OC(C)(C)C2
InChIInChI=1S/C19H28ClN3O3/c1-19(2)10-12-8-13(20)9-14(17(12)26-19)18(24)22-15-4-6-23(7-5-21)11-16(15)25-3/h8-9,15-16H,4-7,10-11,21H2,1-3H3,(H,22,24)
InChIKeyWJRLICNNTFTSKZ-UHFFFAOYSA-N
XLogP1.83
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-aminoethyl)-3-methoxypiperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide with MolForge

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Related Compounds

N-[1-(3-aminopropyl)piperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
CID 19783270
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
bis(4-amino-5-chloro-N-[(3R,4S)-3-methoxy-1-(4-oxopentyl)piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-7-carboxamide);hydrate
CID 131718804
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
CID 10404685
4-amino-N-[(3S,4R)-1-(4-aminobutyl)-3-methoxypiperidin-4-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide
CID 54151467
4-amino-5-chloro-N-[3-methoxy-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
CID 18929982
N-[3-methoxy-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
CID 67794996
N-[3-methoxy-1-[3-[(4-methoxypyrimidin-2-yl)amino]propyl]piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-7-carboxamide;dihydrochloride
CID 67563333
4-amino-5-chloro-N-[(3S,4R)-1-[3-(3-ethyl-2-oxoimidazolidin-1-yl)propanoyl]-3-methoxypiperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-7-carboxamide;oxalic acid
CID 22867202
(Z)-but-2-enedioate;5-chloro-2,2-dimethyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3H-1-benzofuran-7-carboxamide
CID 20838587
methyl 6-[(3S,4R)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]-4-methylhexanoate
CID 157040616
N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]-4-methylpiperazine-1-carboxamide
CID 19994851

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)-3-methoxypiperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
The IUPAC name of N-[1-(2-aminoethyl)-3-methoxypiperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide (CID 67565287) is N-[1-(2-aminoethyl)-3-methoxypiperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[1-(2-aminoethyl)-3-methoxypiperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[1-(2-aminoethyl)-3-methoxypiperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide is COC1CN(CCN)CCC1NC(=O)c1cc(Cl)cc2c1OC(C)(C)C2.
What is the InChIKey of N-[1-(2-aminoethyl)-3-methoxypiperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
The InChIKey is WJRLICNNTFTSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O3/c1-19(2)10-12-8-13(20)9-14(17(12)26-19)18(24)22-15-4-6-23(7-5-21)11-16(15)25-3/h8-9,15-16H,4-7,10-11,21H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(2-aminoethyl)-3-methoxypiperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
N-[1-(2-aminoethyl)-3-methoxypiperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide has a molecular weight of 381.90 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethyl)-3-methoxypiperidin-4-yl]-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide is sourced from PubChem (CID 67565287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).