N-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide

C17H24N2O3 — CID 166411128

IUPACN-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide
SMILESC=CC(=O)NCCC(=O)N1CC[C@@H](C)C[C@@H]1c1ccc(C)o1
InChIInChI=1S/C17H24N2O3/c1-4-16(20)18-9-7-17(21)19-10-8-12(2)11-14(19)15-6-5-13(3)22-15/h4-6,12,14H,1,7-11H2,2-3H3,(H,18,20)/t12-,14-/m1/s1
InChIKeyJZZJFSMKLXUWEK-TZMCWYRMSA-N
MW304.39 g/mol
LogP2.58
Rot. Bonds5

About N-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide

N-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide (PubChem CID 166411128) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide
PubChem CID166411128
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide
SMILESC=CC(=O)NCCC(=O)N1CC[C@@H](C)C[C@@H]1c1ccc(C)o1
InChIInChI=1S/C17H24N2O3/c1-4-16(20)18-9-7-17(21)19-10-8-12(2)11-14(19)15-6-5-13(3)22-15/h4-6,12,14H,1,7-11H2,2-3H3,(H,18,20)/t12-,14-/m1/s1
InChIKeyJZZJFSMKLXUWEK-TZMCWYRMSA-N
XLogP2.58
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide?
The IUPAC name of N-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide (CID 166411128) is N-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide.
What is the SMILES notation for N-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide?
The canonical SMILES for N-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide is C=CC(=O)NCCC(=O)N1CC[C@@H](C)C[C@@H]1c1ccc(C)o1.
What is the InChIKey of N-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide?
The InChIKey is JZZJFSMKLXUWEK-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-16(20)18-9-7-17(21)19-10-8-12(2)11-14(19)15-6-5-13(3)22-15/h4-6,12,14H,1,7-11H2,2-3H3,(H,18,20)/t12-,14-/m1/s1.
What are the key properties of N-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide?
N-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide has a molecular weight of 304.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide is sourced from PubChem (CID 166411128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).