(3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide

C20H20BrFN2O2 — CID 94082488

IUPAC(3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccc(Br)c1)[C@@H]1CCCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C20H20BrFN2O2/c21-16-7-3-5-14(11-16)12-23-19(25)15-6-4-10-24(13-15)20(26)17-8-1-2-9-18(17)22/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,23,25)/t15-/m1/s1
InChIKeyGZEYJCUUQRVECD-OAHLLOKOSA-N
MW419.29 g/mol
LogP3.76
Rot. Bonds4

About (3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide

(3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 94082488) has the molecular formula C20H20BrFN2O2 and a molecular weight of 419.29 g/mol. Its IUPAC name is (3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID94082488
Molecular FormulaC20H20BrFN2O2
Molecular Weight419.29 g/mol
Exact Mass418.07
IUPAC Name(3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccc(Br)c1)[C@@H]1CCCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C20H20BrFN2O2/c21-16-7-3-5-14(11-16)12-23-19(25)15-6-4-10-24(13-15)20(26)17-8-1-2-9-18(17)22/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,23,25)/t15-/m1/s1
InChIKeyGZEYJCUUQRVECD-OAHLLOKOSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 50804043
(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082445
(3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082374
(3R)-N-[(3-bromophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082744
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 94082480
1-[(3-bromophenyl)methyl]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917480
(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367783
(3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994800
1-(2-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50804467
N-[(3-bromophenyl)methyl]azepane-1-carboxamide
CID 60605583
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
1-[(3-bromophenyl)methyl]-N-[[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917484

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide (CID 94082488) is (3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide is O=C(NCc1cccc(Br)c1)[C@@H]1CCCN(C(=O)c2ccccc2F)C1.
What is the InChIKey of (3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is GZEYJCUUQRVECD-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20BrFN2O2/c21-16-7-3-5-14(11-16)12-23-19(25)15-6-4-10-24(13-15)20(26)17-8-1-2-9-18(17)22/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,23,25)/t15-/m1/s1.
What are the key properties of (3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide?
(3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 419.29 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 94082488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).