3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride

C20H26ClN3O3 — CID 119702922

IUPAC3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)NC1CCN(C(=O)c2ccoc2)CC1)C(N)c1ccccc1.Cl
InChIInChI=1S/C20H25N3O3.ClH/c1-14(18(21)15-5-3-2-4-6-15)19(24)22-17-7-10-23(11-8-17)20(25)16-9-12-26-13-16;/h2-6,9,12-14,17-18H,7-8,10-11,21H2,1H3,(H,22,24);1H
InChIKeyIAGDDCOZSCAZSU-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.76
Rot. Bonds5

About 3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119702922) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119702922
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)NC1CCN(C(=O)c2ccoc2)CC1)C(N)c1ccccc1.Cl
InChIInChI=1S/C20H25N3O3.ClH/c1-14(18(21)15-5-3-2-4-6-15)19(24)22-17-7-10-23(11-8-17)20(25)16-9-12-26-13-16;/h2-6,9,12-14,17-18H,7-8,10-11,21H2,1H3,(H,22,24);1H
InChIKeyIAGDDCOZSCAZSU-UHFFFAOYSA-N
XLogP2.76
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119755729
3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119854205
[4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 97081115
furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone
CID 97321950
3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119802914
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119277094
2-(2-chlorophenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38210187
N-[(2R)-1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 38208565
3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide
CID 81494459
furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone
CID 97231970

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride (CID 119702922) is 3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride is CC(C(=O)NC1CCN(C(=O)c2ccoc2)CC1)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is IAGDDCOZSCAZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3.ClH/c1-14(18(21)15-5-3-2-4-6-15)19(24)22-17-7-10-23(11-8-17)20(25)16-9-12-26-13-16;/h2-6,9,12-14,17-18H,7-8,10-11,21H2,1H3,(H,22,24);1H.
What are the key properties of 3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119702922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).