(3R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide

C14H18BrFN2O — CID 124592944

IUPAC(3R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C14H18BrFN2O/c1-18(14(19)10-3-2-6-17-8-10)9-11-7-12(15)4-5-13(11)16/h4-5,7,10,17H,2-3,6,8-9H2,1H3/t10-/m1/s1
InChIKeyQQGYZQALZVRKTL-SNVBAGLBSA-N
MW329.21 g/mol
LogP2.55
Rot. Bonds3

About (3R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide

(3R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 124592944) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is (3R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID124592944
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name(3R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C14H18BrFN2O/c1-18(14(19)10-3-2-6-17-8-10)9-11-7-12(15)4-5-13(11)16/h4-5,7,10,17H,2-3,6,8-9H2,1H3/t10-/m1/s1
InChIKeyQQGYZQALZVRKTL-SNVBAGLBSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119312640
(2S,4S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120629624
cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 124686979
trans-(1R,3R)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 124686974
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81125207
(3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 81139627
(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128624
N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119299696
N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 115159889
(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 81129550
(3R)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81133672

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide (CID 124592944) is (3R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide is CN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is QQGYZQALZVRKTL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-18(14(19)10-3-2-6-17-8-10)9-11-7-12(15)4-5-13(11)16/h4-5,7,10,17H,2-3,6,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
(3R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 329.21 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 124592944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).