4-ethyl-N-[(3-fluorocyclobutyl)methyl]piperidine-4-carboxamide

C13H23FN2O — CID 162725460

IUPAC4-ethyl-N-[(3-fluorocyclobutyl)methyl]piperidine-4-carboxamide
SMILESCCC1(C(=O)NCC2CC(F)C2)CCNCC1
InChIInChI=1S/C13H23FN2O/c1-2-13(3-5-15-6-4-13)12(17)16-9-10-7-11(14)8-10/h10-11,15H,2-9H2,1H3,(H,16,17)
InChIKeyHGVHYHWHXJMKER-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.63
Rot. Bonds4

About 4-ethyl-N-[(3-fluorocyclobutyl)methyl]piperidine-4-carboxamide

4-ethyl-N-[(3-fluorocyclobutyl)methyl]piperidine-4-carboxamide (PubChem CID 162725460) has the molecular formula C13H23FN2O and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-ethyl-N-[(3-fluorocyclobutyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(3-fluorocyclobutyl)methyl]piperidine-4-carboxamide
PubChem CID162725460
Molecular FormulaC13H23FN2O
Molecular Weight242.34 g/mol
Exact Mass242.18
IUPAC Name4-ethyl-N-[(3-fluorocyclobutyl)methyl]piperidine-4-carboxamide
SMILESCCC1(C(=O)NCC2CC(F)C2)CCNCC1
InChIInChI=1S/C13H23FN2O/c1-2-13(3-5-15-6-4-13)12(17)16-9-10-7-11(14)8-10/h10-11,15H,2-9H2,1H3,(H,16,17)
InChIKeyHGVHYHWHXJMKER-UHFFFAOYSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethyl-4-piperidinecarboxamide
CID 410920
N,N-dimethylpiperidine-4-carboxamide
CID 411689
N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
CID 2186960
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 16228133
N-((1-methylpiperidin-4-yl)methyl)pivalamide
CID 16895339
N-ethylpiperidine-4-carboxamide hydrochloride
CID 13593162
N-butylpiperidine-4-carboxamide hydrochloride
CID 50988217
N-[3-(diethylamino)propyl]piperidine-4-carboxamide
CID 16769745
N-ethylpiperidine-4-carboxamide
CID 13593161
N-butyl-N-methylpiperidine-4-carboxamide hydrochloride
CID 45791618
N-propylpiperidine-4-carboxamide hydrochloride
CID 50988220
N,1-diisobutyl-4-piperidinecarboxamide oxalate
CID 883892

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(3-fluorocyclobutyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-ethyl-N-[(3-fluorocyclobutyl)methyl]piperidine-4-carboxamide (CID 162725460) is 4-ethyl-N-[(3-fluorocyclobutyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(3-fluorocyclobutyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-ethyl-N-[(3-fluorocyclobutyl)methyl]piperidine-4-carboxamide is CCC1(C(=O)NCC2CC(F)C2)CCNCC1.
What is the InChIKey of 4-ethyl-N-[(3-fluorocyclobutyl)methyl]piperidine-4-carboxamide?
The InChIKey is HGVHYHWHXJMKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O/c1-2-13(3-5-15-6-4-13)12(17)16-9-10-7-11(14)8-10/h10-11,15H,2-9H2,1H3,(H,16,17).
What are the key properties of 4-ethyl-N-[(3-fluorocyclobutyl)methyl]piperidine-4-carboxamide?
4-ethyl-N-[(3-fluorocyclobutyl)methyl]piperidine-4-carboxamide has a molecular weight of 242.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(3-fluorocyclobutyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 162725460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).