(E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide

C19H24N2O3 — CID 108566021

IUPAC(E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H24N2O3/c22-18(9-8-15-5-2-1-3-6-15)20-16-10-12-21(13-11-16)19(23)17-7-4-14-24-17/h1-3,5-6,8-9,16-17H,4,7,10-14H2,(H,20,22)/b9-8+
InChIKeyVSNIJKLLIPIHOU-CMDGGOBGSA-N
MW328.41 g/mol
LogP1.99
Rot. Bonds4

About (E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide

(E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide (PubChem CID 108566021) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide
PubChem CID108566021
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H24N2O3/c22-18(9-8-15-5-2-1-3-6-15)20-16-10-12-21(13-11-16)19(23)17-7-4-14-24-17/h1-3,5-6,8-9,16-17H,4,7,10-14H2,(H,20,22)/b9-8+
InChIKeyVSNIJKLLIPIHOU-CMDGGOBGSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.99
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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Related Compounds

(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide
CID 127179670
[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid
CID 156534121
2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819750
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone
CID 71977470
3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819733
1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea
CID 110819796
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55691057
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide
CID 108553687

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide (CID 108566021) is (E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NC1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of (E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide?
The InChIKey is VSNIJKLLIPIHOU-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-18(9-8-15-5-2-1-3-6-15)20-16-10-12-21(13-11-16)19(23)17-7-4-14-24-17/h1-3,5-6,8-9,16-17H,4,7,10-14H2,(H,20,22)/b9-8+.
What are the key properties of (E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide?
(E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide has a molecular weight of 328.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 108566021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).