3-amino-N-[[1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C20H25ClFN3O3 — CID 120579452

IUPAC3-amino-N-[[1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C20H24FN3O3.ClH/c21-16-7-2-1-6-15(16)17-8-9-18(27-17)20(26)24-12-4-3-5-14(24)13-23-19(25)10-11-22;/h1-2,6-9,14H,3-5,10-13,22H2,(H,23,25);1H
InChIKeyACDSXNVRMXBDST-UHFFFAOYSA-N
MW409.89 g/mol
LogP2.97
Rot. Bonds6

About 3-amino-N-[[1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120579452) has the molecular formula C20H25ClFN3O3 and a molecular weight of 409.89 g/mol. Its IUPAC name is 3-amino-N-[[1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120579452
Molecular FormulaC20H25ClFN3O3
Molecular Weight409.89 g/mol
Exact Mass409.16
IUPAC Name3-amino-N-[[1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C20H24FN3O3.ClH/c21-16-7-2-1-6-15(16)17-8-9-18(27-17)20(26)24-12-4-3-5-14(24)13-23-19(25)10-11-22;/h1-2,6-9,14H,3-5,10-13,22H2,(H,23,25);1H
InChIKeyACDSXNVRMXBDST-UHFFFAOYSA-N
XLogP2.97
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.89
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[[1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride 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-amino-N-[[1-[2-(4-bromophenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578254
3-amino-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579244
3-amino-N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578635
3-amino-N-[[1-(4-chloro-2-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580015
3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578179
3-amino-N-[[1-[3-(2-fluorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120580345
3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578567
3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578938
3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578206
3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578002
3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120579452) is 3-amino-N-[[1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1C(=O)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of 3-amino-N-[[1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is ACDSXNVRMXBDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3.ClH/c21-16-7-2-1-6-15(16)17-8-9-18(27-17)20(26)24-12-4-3-5-14(24)13-23-19(25)10-11-22;/h1-2,6-9,14H,3-5,10-13,22H2,(H,23,25);1H.
What are the key properties of 3-amino-N-[[1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 409.89 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120579452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).