N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide

C15H21FN2O2 — CID 43709599

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CCCCN2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-10(11-6-7-14(20-2)12(16)9-11)18-15(19)13-5-3-4-8-17-13/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyWXOCAMKLSKGDMM-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.15
Rot. Bonds4

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide (PubChem CID 43709599) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide
PubChem CID43709599
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CCCCN2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-10(11-6-7-14(20-2)12(16)9-11)18-15(19)13-5-3-4-8-17-13/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyWXOCAMKLSKGDMM-UHFFFAOYSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212
N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119269548
(2S)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119694047
(2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119694031
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119287617
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide
CID 119324627
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide
CID 119333652
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119292600
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119289128
(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119683030

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide (CID 43709599) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide is COc1ccc(C(C)NC(=O)C2CCCCN2)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide?
The InChIKey is WXOCAMKLSKGDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10(11-6-7-14(20-2)12(16)9-11)18-15(19)13-5-3-4-8-17-13/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 43709599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).