N-[[4,4-difluoro-1-(4-methylpent-3-enoyl)piperidin-3-yl]methyl]-2-(1-methoxycyclobutyl)acetamide

C19H30F2N2O3 — CID 167832459

IUPACN-[[4,4-difluoro-1-(4-methylpent-3-enoyl)piperidin-3-yl]methyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCC2CN(C(=O)CC=C(C)C)CCC2(F)F)CCC1
InChIInChI=1S/C19H30F2N2O3/c1-14(2)5-6-17(25)23-10-9-19(20,21)15(13-23)12-22-16(24)11-18(26-3)7-4-8-18/h5,15H,4,6-13H2,1-3H3,(H,22,24)
InChIKeyIEFKDZBLANJABY-UHFFFAOYSA-N
MW372.46 g/mol
LogP2.90
Rot. Bonds7

About N-[[4,4-difluoro-1-(4-methylpent-3-enoyl)piperidin-3-yl]methyl]-2-(1-methoxycyclobutyl)acetamide

N-[[4,4-difluoro-1-(4-methylpent-3-enoyl)piperidin-3-yl]methyl]-2-(1-methoxycyclobutyl)acetamide (PubChem CID 167832459) has the molecular formula C19H30F2N2O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is N-[[4,4-difluoro-1-(4-methylpent-3-enoyl)piperidin-3-yl]methyl]-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[[4,4-difluoro-1-(4-methylpent-3-enoyl)piperidin-3-yl]methyl]-2-(1-methoxycyclobutyl)acetamide
PubChem CID167832459
Molecular FormulaC19H30F2N2O3
Molecular Weight372.46 g/mol
Exact Mass372.22
IUPAC NameN-[[4,4-difluoro-1-(4-methylpent-3-enoyl)piperidin-3-yl]methyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCC2CN(C(=O)CC=C(C)C)CCC2(F)F)CCC1
InChIInChI=1S/C19H30F2N2O3/c1-14(2)5-6-17(25)23-10-9-19(20,21)15(13-23)12-22-16(24)11-18(26-3)7-4-8-18/h5,15H,4,6-13H2,1-3H3,(H,22,24)
InChIKeyIEFKDZBLANJABY-UHFFFAOYSA-N
XLogP2.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4,4-difluoro-1-(4-methylpent-3-enoyl)piperidin-3-yl]methyl]-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-[[4,4-difluoro-1-(4-methylpent-3-enoyl)piperidin-3-yl]methyl]-2-(1-methoxycyclobutyl)acetamide (CID 167832459) is N-[[4,4-difluoro-1-(4-methylpent-3-enoyl)piperidin-3-yl]methyl]-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-[[4,4-difluoro-1-(4-methylpent-3-enoyl)piperidin-3-yl]methyl]-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-[[4,4-difluoro-1-(4-methylpent-3-enoyl)piperidin-3-yl]methyl]-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NCC2CN(C(=O)CC=C(C)C)CCC2(F)F)CCC1.
What is the InChIKey of N-[[4,4-difluoro-1-(4-methylpent-3-enoyl)piperidin-3-yl]methyl]-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is IEFKDZBLANJABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F2N2O3/c1-14(2)5-6-17(25)23-10-9-19(20,21)15(13-23)12-22-16(24)11-18(26-3)7-4-8-18/h5,15H,4,6-13H2,1-3H3,(H,22,24).
What are the key properties of N-[[4,4-difluoro-1-(4-methylpent-3-enoyl)piperidin-3-yl]methyl]-2-(1-methoxycyclobutyl)acetamide?
N-[[4,4-difluoro-1-(4-methylpent-3-enoyl)piperidin-3-yl]methyl]-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 372.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,4-difluoro-1-(4-methylpent-3-enoyl)piperidin-3-yl]methyl]-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 167832459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).