5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide

C13H21N3O3 — CID 122568011

IUPAC5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide
SMILESCN(C)Cc1ccc(C(=O)N[C@H]2CNCC[C@H]2O)o1
InChIInChI=1S/C13H21N3O3/c1-16(2)8-9-3-4-12(19-9)13(18)15-10-7-14-6-5-11(10)17/h3-4,10-11,14,17H,5-8H2,1-2H3,(H,15,18)/t10-,11+/m0/s1
InChIKeyDVBMWEMOSZDCAJ-WDEREUQCSA-N
MW267.33 g/mol
LogP-0.21
Rot. Bonds4

About 5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide

5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide (PubChem CID 122568011) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide
PubChem CID122568011
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide
SMILESCN(C)Cc1ccc(C(=O)N[C@H]2CNCC[C@H]2O)o1
InChIInChI=1S/C13H21N3O3/c1-16(2)8-9-3-4-12(19-9)13(18)15-10-7-14-6-5-11(10)17/h3-4,10-11,14,17H,5-8H2,1-2H3,(H,15,18)/t10-,11+/m0/s1
InChIKeyDVBMWEMOSZDCAJ-WDEREUQCSA-N
XLogP-0.21
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide 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

5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide
CID 55214063
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride
CID 154895469
5-(methoxymethyl)-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119450206
5-ethyl-N-piperidin-4-ylfuran-2-carboxamide
CID 78981214
5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride
CID 120557308
N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide
CID 120557562
5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 107222112
N-(2-aminoethyl)-5-[(dimethylamino)methyl]furan-2-carboxamide
CID 10104585
[(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95715274
5-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide
CID 120553771
4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104957519
5-[[[(1S,2R)-2-hydroxycyclohexyl]-methylamino]methyl]-N-methylfuran-2-carboxamide
CID 124725027

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide?
The IUPAC name of 5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide (CID 122568011) is 5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide is CN(C)Cc1ccc(C(=O)N[C@H]2CNCC[C@H]2O)o1.
What is the InChIKey of 5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide?
The InChIKey is DVBMWEMOSZDCAJ-WDEREUQCSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-16(2)8-9-3-4-12(19-9)13(18)15-10-7-14-6-5-11(10)17/h3-4,10-11,14,17H,5-8H2,1-2H3,(H,15,18)/t10-,11+/m0/s1.
What are the key properties of 5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide?
5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 122568011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).