N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride

C17H29Cl2N3O3 — CID 154895469

IUPACN-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride
SMILESCC1CCN(Cc2ccc(C(=O)N[C@@H]3CCNC[C@H]3O)o2)CC1.Cl.Cl
InChIInChI=1S/C17H27N3O3.2ClH/c1-12-5-8-20(9-6-12)11-13-2-3-16(23-13)17(22)19-14-4-7-18-10-15(14)21;;/h2-3,12,14-15,18,21H,4-11H2,1H3,(H,19,22);2*1H/t14-,15-;;/m1../s1
InChIKeyUFSFZHZAZMFNNC-FXUMYAARSA-N
MW394.34 g/mol
LogP1.81
Rot. Bonds4

About N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride

N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride (PubChem CID 154895469) has the molecular formula C17H29Cl2N3O3 and a molecular weight of 394.34 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride
PubChem CID154895469
Molecular FormulaC17H29Cl2N3O3
Molecular Weight394.34 g/mol
Exact Mass393.16
IUPAC NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride
SMILESCC1CCN(Cc2ccc(C(=O)N[C@@H]3CCNC[C@H]3O)o2)CC1.Cl.Cl
InChIInChI=1S/C17H27N3O3.2ClH/c1-12-5-8-20(9-6-12)11-13-2-3-16(23-13)17(22)19-14-4-7-18-10-15(14)21;;/h2-3,12,14-15,18,21H,4-11H2,1H3,(H,19,22);2*1H/t14-,15-;;/m1../s1
InChIKeyUFSFZHZAZMFNNC-FXUMYAARSA-N
XLogP1.81
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide
CID 122568011
5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride
CID 120557308
5-(methoxymethyl)-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119450206
N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide
CID 120557562
N-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131897507
N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 91794402
5-[(4-methylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42850852
N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
CID 166613163
5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 131951497
5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 107222112
5-ethyl-N-piperidin-4-ylfuran-2-carboxamide
CID 78981214
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride?
The IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride (CID 154895469) is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride is CC1CCN(Cc2ccc(C(=O)N[C@@H]3CCNC[C@H]3O)o2)CC1.Cl.Cl.
What is the InChIKey of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride?
The InChIKey is UFSFZHZAZMFNNC-FXUMYAARSA-N. The full InChI is InChI=1S/C17H27N3O3.2ClH/c1-12-5-8-20(9-6-12)11-13-2-3-16(23-13)17(22)19-14-4-7-18-10-15(14)21;;/h2-3,12,14-15,18,21H,4-11H2,1H3,(H,19,22);2*1H/t14-,15-;;/m1../s1.
What are the key properties of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride?
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride has a molecular weight of 394.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride is sourced from PubChem (CID 154895469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).