phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone

C15H19NO2 — CID 42656385

IUPACphenyl-(3-prop-2-enoxypiperidin-1-yl)methanone
SMILESC=CCOC1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C15H19NO2/c1-2-11-18-14-9-6-10-16(12-14)15(17)13-7-4-3-5-8-13/h2-5,7-8,14H,1,6,9-12H2
InChIKeyONLQTWUNTQBXDF-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.49
Rot. Bonds4

About phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone

phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone (PubChem CID 42656385) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(3-prop-2-enoxypiperidin-1-yl)methanone
PubChem CID42656385
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namephenyl-(3-prop-2-enoxypiperidin-1-yl)methanone
SMILESC=CCOC1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C15H19NO2/c1-2-11-18-14-9-6-10-16(12-14)15(17)13-7-4-3-5-8-13/h2-5,7-8,14H,1,6,9-12H2
InChIKeyONLQTWUNTQBXDF-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-bromophenyl)-(3-prop-2-enoxypiperidin-1-yl)methanone
CID 46028692
N-phenyl-3-prop-2-enoxypiperidine-1-carboxamide
CID 42656426
3-prop-2-enoxypiperidine-1-carboxamide
CID 70254738
[3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 46153756
(3R,5S,9S)-11-benzoyl-5-prop-2-enoxy-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 163130137
(3-fluoropiperidin-1-yl)-phenylmethanone
CID 167717341
(E)-3-[2-[(3S)-1-benzoylpiperidin-3-yl]oxyphenyl]-N-hydroxyprop-2-enamide
CID 71620748
(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 42656405
(2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid
CID 135161209
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
(4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 42844207

Frequently Asked Questions

What is the IUPAC name of phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone?
The IUPAC name of phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone (CID 42656385) is phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone.
What is the SMILES notation for phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone?
The canonical SMILES for phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone is C=CCOC1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone?
The InChIKey is ONLQTWUNTQBXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-11-18-14-9-6-10-16(12-14)15(17)13-7-4-3-5-8-13/h2-5,7-8,14H,1,6,9-12H2.
What are the key properties of phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone?
phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone has a molecular weight of 245.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone is sourced from PubChem (CID 42656385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).