N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide

C21H27FN2O3 — CID 166416109

IUPACN-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)NC2CCC(O)(c3cccc(F)c3)CC2)C1
InChIInChI=1S/C21H27FN2O3/c1-2-19(25)24-12-4-5-15(14-24)20(26)23-18-8-10-21(27,11-9-18)16-6-3-7-17(22)13-16/h2-3,6-7,13,15,18,27H,1,4-5,8-12,14H2,(H,23,26)
InChIKeyZYNXEESIIGBMIF-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.50
Rot. Bonds4

About N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide

N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide (PubChem CID 166416109) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide
PubChem CID166416109
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC NameN-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)NC2CCC(O)(c3cccc(F)c3)CC2)C1
InChIInChI=1S/C21H27FN2O3/c1-2-19(25)24-12-4-5-15(14-24)20(26)23-18-8-10-21(27,11-9-18)16-6-3-7-17(22)13-16/h2-3,6-7,13,15,18,27H,1,4-5,8-12,14H2,(H,23,26)
InChIKeyZYNXEESIIGBMIF-UHFFFAOYSA-N
XLogP2.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide 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'-(2-chloro-6-fluorobenzoyl)-1-prop-2-enoylpiperidine-3-carbohydrazide
CID 166413000
1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]piperidine-3-carboxamide
CID 166412820
N-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411319
N-(3-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 166413013
N-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide
CID 49352658
N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166413024
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 167833168
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
ethyl 4-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47802432
(3R)-N-cyclopropyl-1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 29085751
N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411407
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide (CID 166416109) is N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide is C=CC(=O)N1CCCC(C(=O)NC2CCC(O)(c3cccc(F)c3)CC2)C1.
What is the InChIKey of N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide?
The InChIKey is ZYNXEESIIGBMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3/c1-2-19(25)24-12-4-5-15(14-24)20(26)23-18-8-10-21(27,11-9-18)16-6-3-7-17(22)13-16/h2-3,6-7,13,15,18,27H,1,4-5,8-12,14H2,(H,23,26).
What are the key properties of N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide?
N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide is sourced from PubChem (CID 166416109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).