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

C15H21N3O2 — CID 142193991

IUPACN-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide
SMILESC=N/C=C\c1ccc(C(=O)N[C@H]2CNCCC2CC)o1
InChIInChI=1S/C15H21N3O2/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)/b8-7-/t11?,13-/m0/s1
InChIKeyDCJHJFLCVSLWDR-WSJBZAGDSA-N
MW275.35 g/mol
LogP2.07
Rot. Bonds5

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

N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide (PubChem CID 142193991) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide
PubChem CID142193991
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide
SMILESC=N/C=C\c1ccc(C(=O)N[C@H]2CNCCC2CC)o1
InChIInChI=1S/C15H21N3O2/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)/b8-7-/t11?,13-/m0/s1
InChIKeyDCJHJFLCVSLWDR-WSJBZAGDSA-N
XLogP2.07
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide?
The IUPAC name of N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide (CID 142193991) is N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide?
The canonical SMILES for N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide is C=N/C=C\c1ccc(C(=O)N[C@H]2CNCCC2CC)o1.
What is the InChIKey of N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide?
The InChIKey is DCJHJFLCVSLWDR-WSJBZAGDSA-N. The full InChI is InChI=1S/C15H21N3O2/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)/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?
N-[(3R)-4-ethylpiperidin-3-yl]-5-[(Z)-2-(methylideneamino)ethenyl]furan-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.07, 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 is sourced from PubChem (CID 142193991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).