1-[4-(1-prop-2-enoylpiperidin-4-yl)piperidin-1-yl]prop-2-en-1-one

C16H24N2O2 — CID 23396045

IUPAC1-[4-(1-prop-2-enoylpiperidin-4-yl)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(C2CCN(C(=O)C=C)CC2)CC1
InChIInChI=1S/C16H24N2O2/c1-3-15(19)17-9-5-13(6-10-17)14-7-11-18(12-8-14)16(20)4-2/h3-4,13-14H,1-2,5-12H2
InChIKeyHLVNMLUQFQFYCQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.84
Rot. Bonds3

About 1-[4-(1-prop-2-enoylpiperidin-4-yl)piperidin-1-yl]prop-2-en-1-one

1-[4-(1-prop-2-enoylpiperidin-4-yl)piperidin-1-yl]prop-2-en-1-one (PubChem CID 23396045) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-(1-prop-2-enoylpiperidin-4-yl)piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(1-prop-2-enoylpiperidin-4-yl)piperidin-1-yl]prop-2-en-1-one
PubChem CID23396045
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[4-(1-prop-2-enoylpiperidin-4-yl)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(C2CCN(C(=O)C=C)CC2)CC1
InChIInChI=1S/C16H24N2O2/c1-3-15(19)17-9-5-13(6-10-17)14-7-11-18(12-8-14)16(20)4-2/h3-4,13-14H,1-2,5-12H2
InChIKeyHLVNMLUQFQFYCQ-UHFFFAOYSA-N
XLogP1.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[4-(1-prop-2-enoylpiperidin-4-yl)piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-(1-prop-2-enoylpiperidin-4-yl)piperidin-1-yl]prop-2-en-1-one (CID 23396045) is 1-[4-(1-prop-2-enoylpiperidin-4-yl)piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(1-prop-2-enoylpiperidin-4-yl)piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(1-prop-2-enoylpiperidin-4-yl)piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(C2CCN(C(=O)C=C)CC2)CC1.
What is the InChIKey of 1-[4-(1-prop-2-enoylpiperidin-4-yl)piperidin-1-yl]prop-2-en-1-one?
The InChIKey is HLVNMLUQFQFYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-15(19)17-9-5-13(6-10-17)14-7-11-18(12-8-14)16(20)4-2/h3-4,13-14H,1-2,5-12H2.
What are the key properties of 1-[4-(1-prop-2-enoylpiperidin-4-yl)piperidin-1-yl]prop-2-en-1-one?
1-[4-(1-prop-2-enoylpiperidin-4-yl)piperidin-1-yl]prop-2-en-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-prop-2-enoylpiperidin-4-yl)piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 23396045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).