3-[4-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-3H-pyridin-6-one

C15H18N2O3 — CID 75278515

IUPAC3-[4-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-3H-pyridin-6-one
SMILESC#CCOCC1CCN(C(=O)C2C=CC(=O)N=C2)CC1
InChIInChI=1S/C15H18N2O3/c1-2-9-20-11-12-5-7-17(8-6-12)15(19)13-3-4-14(18)16-10-13/h1,3-4,10,12-13H,5-9,11H2
InChIKeyDDWVEFLRFOXQBZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.66
Rot. Bonds4

About 3-[4-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-3H-pyridin-6-one

3-[4-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-3H-pyridin-6-one (PubChem CID 75278515) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[4-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-3H-pyridin-6-one.

Molecular Properties

Compound Name3-[4-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-3H-pyridin-6-one
PubChem CID75278515
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[4-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-3H-pyridin-6-one
SMILESC#CCOCC1CCN(C(=O)C2C=CC(=O)N=C2)CC1
InChIInChI=1S/C15H18N2O3/c1-2-9-20-11-12-5-7-17(8-6-12)15(19)13-3-4-14(18)16-10-13/h1,3-4,10,12-13H,5-9,11H2
InChIKeyDDWVEFLRFOXQBZ-UHFFFAOYSA-N
XLogP0.66
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-3H-pyridin-6-one?
The IUPAC name of 3-[4-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-3H-pyridin-6-one (CID 75278515) is 3-[4-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-3H-pyridin-6-one.
What is the SMILES notation for 3-[4-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-3H-pyridin-6-one?
The canonical SMILES for 3-[4-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-3H-pyridin-6-one is C#CCOCC1CCN(C(=O)C2C=CC(=O)N=C2)CC1.
What is the InChIKey of 3-[4-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-3H-pyridin-6-one?
The InChIKey is DDWVEFLRFOXQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-9-20-11-12-5-7-17(8-6-12)15(19)13-3-4-14(18)16-10-13/h1,3-4,10,12-13H,5-9,11H2.
What are the key properties of 3-[4-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-3H-pyridin-6-one?
3-[4-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-3H-pyridin-6-one has a molecular weight of 274.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-3H-pyridin-6-one is sourced from PubChem (CID 75278515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).