N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide;molecular hydrogen

C15H23N3O2 — CID 142193990

IUPACN-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide;molecular hydrogen
SMILESC=N/C=C\c1ccc(C(=O)N[C@H]2CNCCC2CC)o1.[H][H]
InChIInChI=1S/C15H21N3O2.H2/c1-3-11-6-9-17-10-13(11)18-15(19)14-5-4-12(20-14)7-8-16-2;/h4-5,7-8,11,13,17H,2-3,6,9-10H2,1H3,(H,18,19);1H/b8-7-;/t11?,13-;/m0./s1
InChIKeyXNMIZTCLLPIPKD-GMBLSKGDSA-N
MW277.37 g/mol
LogP2.31
Rot. Bonds5

About N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide;molecular hydrogen

N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide;molecular hydrogen (PubChem CID 142193990) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide;molecular hydrogen
PubChem CID142193990
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide;molecular hydrogen
SMILESC=N/C=C\c1ccc(C(=O)N[C@H]2CNCCC2CC)o1.[H][H]
InChIInChI=1S/C15H21N3O2.H2/c1-3-11-6-9-17-10-13(11)18-15(19)14-5-4-12(20-14)7-8-16-2;/h4-5,7-8,11,13,17H,2-3,6,9-10H2,1H3,(H,18,19);1H/b8-7-;/t11?,13-;/m0./s1
InChIKeyXNMIZTCLLPIPKD-GMBLSKGDSA-N
XLogP2.31
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide
CID 142193991
5-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide
CID 120553771
methyl 3-[(4-ethylpiperidin-3-yl)amino]-3-oxopropanoate
CID 165441012
N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide
CID 120557562
5-[(dimethylamino)methyl]-N-[(3S,4R)-4-hydroxypiperidin-3-yl]furan-2-carboxamide
CID 122568011
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-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide;dihydrochloride
CID 154895469
N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 71836746
5-methyl-N-piperidin-3-ylfuran-2-carboxamide
CID 43603726
5-(methoxymethyl)-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119450206
5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide
CID 62379342

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide;molecular hydrogen?
The IUPAC name of N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide;molecular hydrogen (CID 142193990) is N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide;molecular hydrogen is C=N/C=C\c1ccc(C(=O)N[C@H]2CNCCC2CC)o1.[H][H].
What is the InChIKey of N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide;molecular hydrogen?
The InChIKey is XNMIZTCLLPIPKD-GMBLSKGDSA-N. The full InChI is InChI=1S/C15H21N3O2.H2/c1-3-11-6-9-17-10-13(11)18-15(19)14-5-4-12(20-14)7-8-16-2;/h4-5,7-8,11,13,17H,2-3,6,9-10H2,1H3,(H,18,19);1H/b8-7-;/t11?,13-;/m0./s1.
What are the key properties of N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide;molecular hydrogen?
N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide;molecular hydrogen has a molecular weight of 277.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 142193990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).