N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide

C15H21FN2O — CID 106740405

IUPACN-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)N[C@@H](C)c2cccc(F)c2)CCN1
InChIInChI=1S/C15H21FN2O/c1-10-8-13(6-7-17-10)15(19)18-11(2)12-4-3-5-14(16)9-12/h3-5,9-11,13,17H,6-8H2,1-2H3,(H,18,19)/t10?,11-,13?/m0/s1
InChIKeySQDWNVZTNBGMAM-AKJDGMEZSA-N
MW264.34 g/mol
LogP2.39
Rot. Bonds3

About N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide

N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide (PubChem CID 106740405) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
PubChem CID106740405
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)N[C@@H](C)c2cccc(F)c2)CCN1
InChIInChI=1S/C15H21FN2O/c1-10-8-13(6-7-17-10)15(19)18-11(2)12-4-3-5-14(16)9-12/h3-5,9-11,13,17H,6-8H2,1-2H3,(H,18,19)/t10?,11-,13?/m0/s1
InChIKeySQDWNVZTNBGMAM-AKJDGMEZSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
(2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622085
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005470
(2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120637835
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977
3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581
(2S,4S)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120625124
(2S,4S)-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120633546
(2S,4S)-N-[1-(3-benzamidophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620755
N-[(1R)-1-(3-fluorophenyl)ethyl]azepane-2-carboxamide
CID 81365964
1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 42907119

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide (CID 106740405) is N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide is CC1CC(C(=O)N[C@@H](C)c2cccc(F)c2)CCN1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is SQDWNVZTNBGMAM-AKJDGMEZSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10-8-13(6-7-17-10)15(19)18-11(2)12-4-3-5-14(16)9-12/h3-5,9-11,13,17H,6-8H2,1-2H3,(H,18,19)/t10?,11-,13?/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide?
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106740405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).