N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride

C19H25Cl2N3O2 — CID 119918882

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1.Cl
InChIInChI=1S/C19H24ClN3O2.ClH/c1-21-16-3-2-10-23(12-16)13-19(24)22-11-17-8-9-18(25-17)14-4-6-15(20)7-5-14;/h4-9,16,21H,2-3,10-13H2,1H3,(H,22,24);1H
InChIKeyJZKLQFKGVFZRNI-UHFFFAOYSA-N
MW398.33 g/mol
LogP3.32
Rot. Bonds6

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119918882) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119918882
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1.Cl
InChIInChI=1S/C19H24ClN3O2.ClH/c1-21-16-3-2-10-23(12-16)13-19(24)22-11-17-8-9-18(25-17)14-4-6-15(20)7-5-14;/h4-9,16,21H,2-3,10-13H2,1H3,(H,22,24);1H
InChIKeyJZKLQFKGVFZRNI-UHFFFAOYSA-N
XLogP3.32
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
CID 55381607
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide
CID 26042056
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide
CID 91767930
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547054
4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide
CID 9480365
N-(2,5-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545625
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547586
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920219
2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 119920391
2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119920092
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493727

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride (CID 119918882) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride is CNC1CCCN(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1.Cl.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is JZKLQFKGVFZRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2.ClH/c1-21-16-3-2-10-23(12-16)13-19(24)22-11-17-8-9-18(25-17)14-4-6-15(20)7-5-14;/h4-9,16,21H,2-3,10-13H2,1H3,(H,22,24);1H.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 398.33 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119918882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).