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

C20H25FN2O2 — CID 166411319

IUPACN-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)NC2(c3ccccc3F)CCCC2)C1
InChIInChI=1S/C20H25FN2O2/c1-2-18(24)23-13-7-8-15(14-23)19(25)22-20(11-5-6-12-20)16-9-3-4-10-17(16)21/h2-4,9-10,15H,1,5-8,11-14H2,(H,22,25)
InChIKeyRHCYHGGPCYVPJJ-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.14
Rot. Bonds4

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

N-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide (PubChem CID 166411319) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide
PubChem CID166411319
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC NameN-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)NC2(c3ccccc3F)CCCC2)C1
InChIInChI=1S/C20H25FN2O2/c1-2-18(24)23-13-7-8-15(14-23)19(25)22-20(11-5-6-12-20)16-9-3-4-10-17(16)21/h2-4,9-10,15H,1,5-8,11-14H2,(H,22,25)
InChIKeyRHCYHGGPCYVPJJ-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166415999
N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166413024
N-[1-(2-fluorophenyl)cyclopropyl]cyclohexanecarboxamide
CID 110482201
N-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411352
N'-(2-chloro-6-fluorobenzoyl)-1-prop-2-enoylpiperidine-3-carbohydrazide
CID 166413000
N-[1-(2-fluorophenyl)cyclobutyl]pyrrolidine-1-carboxamide
CID 110469855
3-amino-N-[1-(2-fluorophenyl)cyclopropyl]cyclohexane-1-carboxamide;hydrochloride
CID 119796466
1-(4-fluorobenzoyl)-N-(1-phenylcyclobutyl)piperidine-3-carboxamide
CID 51273264
N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166416109
(3S)-N-(2-phenylpropyl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889923
N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411407
N-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 166413075

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide (CID 166411319) is N-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide is C=CC(=O)N1CCCC(C(=O)NC2(c3ccccc3F)CCCC2)C1.
What is the InChIKey of N-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide?
The InChIKey is RHCYHGGPCYVPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-2-18(24)23-13-7-8-15(14-23)19(25)22-20(11-5-6-12-20)16-9-3-4-10-17(16)21/h2-4,9-10,15H,1,5-8,11-14H2,(H,22,25).
What are the key properties of N-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide?
N-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide is sourced from PubChem (CID 166411319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).