(E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-N-(oxolan-2-ylmethyl)but-2-enamide

C23H33FN2O2 — CID 45176483

IUPAC(E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-N-(oxolan-2-ylmethyl)but-2-enamide
SMILESC/C=C(\C)C(=O)N(CC1CCN(Cc2ccccc2F)CC1)CC1CCCO1
InChIInChI=1S/C23H33FN2O2/c1-3-18(2)23(27)26(17-21-8-6-14-28-21)15-19-10-12-25(13-11-19)16-20-7-4-5-9-22(20)24/h3-5,7,9,19,21H,6,8,10-17H2,1-2H3/b18-3+
InChIKeyFQXDSFGTZHWFHP-JFQJCAQQSA-N
MW388.53 g/mol
LogP4.01
Rot. Bonds7

About (E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-N-(oxolan-2-ylmethyl)but-2-enamide

(E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-N-(oxolan-2-ylmethyl)but-2-enamide (PubChem CID 45176483) has the molecular formula C23H33FN2O2 and a molecular weight of 388.53 g/mol. Its IUPAC name is (E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-N-(oxolan-2-ylmethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-N-(oxolan-2-ylmethyl)but-2-enamide
PubChem CID45176483
Molecular FormulaC23H33FN2O2
Molecular Weight388.53 g/mol
Exact Mass388.25
IUPAC Name(E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-N-(oxolan-2-ylmethyl)but-2-enamide
SMILESC/C=C(\C)C(=O)N(CC1CCN(Cc2ccccc2F)CC1)CC1CCCO1
InChIInChI=1S/C23H33FN2O2/c1-3-18(2)23(27)26(17-21-8-6-14-28-21)15-19-10-12-25(13-11-19)16-20-7-4-5-9-22(20)24/h3-5,7,9,19,21H,6,8,10-17H2,1-2H3/b18-3+
InChIKeyFQXDSFGTZHWFHP-JFQJCAQQSA-N
XLogP4.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-N-(oxolan-2-ylmethyl)but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-allyl-6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)-N-methylhexan-1-aminium
CID 44306062
N-ethyl-1'-(2-methylbenzyl)-N-(tetrahydro-2-furanylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 24793902
1-(4-Methylbenzyl)-4-(tetrahydro-2-furanylcarbonyl)piperazine
CID 2971292
US10421750, Example 27
CID 129053741
US10421750, Example 29
CID 129053743
US10421750, Example 30
CID 129053771
US10421750, Example 28
CID 129053831
4-[(2-Fluorophenyl)methyl]piperazinyl oxolan-2-yl ketone
CID 6469370
N-{[1-(2-fluorobenzyl)-4-piperidinyl]methyl}-2-(4-fluorophenyl)-N-(tetrahydro-2-furanylmethyl)acetamide
CID 45169359
N-{[1-(2-fluorobenzyl)-4-piperidinyl]methyl}-6-hydroxy-N-(tetrahydro-2-furanylmethyl)nicotinamide
CID 45233329
2-[(3-Fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone
CID 49523348
5-({4-[(2-Fluorophenyl)methyl]piperazin-1-YL}methyl)-1-(2-methoxyethyl)-1,2-dihydropyridin-2-one
CID 53191688

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-N-(oxolan-2-ylmethyl)but-2-enamide?
The IUPAC name of (E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-N-(oxolan-2-ylmethyl)but-2-enamide (CID 45176483) is (E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-N-(oxolan-2-ylmethyl)but-2-enamide.
What is the SMILES notation for (E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-N-(oxolan-2-ylmethyl)but-2-enamide?
The canonical SMILES for (E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-N-(oxolan-2-ylmethyl)but-2-enamide is C/C=C(\C)C(=O)N(CC1CCN(Cc2ccccc2F)CC1)CC1CCCO1.
What is the InChIKey of (E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-N-(oxolan-2-ylmethyl)but-2-enamide?
The InChIKey is FQXDSFGTZHWFHP-JFQJCAQQSA-N. The full InChI is InChI=1S/C23H33FN2O2/c1-3-18(2)23(27)26(17-21-8-6-14-28-21)15-19-10-12-25(13-11-19)16-20-7-4-5-9-22(20)24/h3-5,7,9,19,21H,6,8,10-17H2,1-2H3/b18-3+.
What are the key properties of (E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-N-(oxolan-2-ylmethyl)but-2-enamide?
(E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-N-(oxolan-2-ylmethyl)but-2-enamide has a molecular weight of 388.53 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-N-(oxolan-2-ylmethyl)but-2-enamide is sourced from PubChem (CID 45176483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).