N-(2-bicyclo[2.2.1]heptanyl)-1-[(3-bromophenyl)methyl]piperidine-3-carboxamide

C20H27BrN2O — CID 43921297

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1-[(3-bromophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NC1CC2CCC1C2)C1CCCN(Cc2cccc(Br)c2)C1
InChIInChI=1S/C20H27BrN2O/c21-18-5-1-3-15(10-18)12-23-8-2-4-17(13-23)20(24)22-19-11-14-6-7-16(19)9-14/h1,3,5,10,14,16-17,19H,2,4,6-9,11-13H2,(H,22,24)
InChIKeyDNWKWGOMGBMAGF-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.97
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-1-[(3-bromophenyl)methyl]piperidine-3-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-1-[(3-bromophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43921297) has the molecular formula C20H27BrN2O and a molecular weight of 391.35 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1-[(3-bromophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1-[(3-bromophenyl)methyl]piperidine-3-carboxamide
PubChem CID43921297
Molecular FormulaC20H27BrN2O
Molecular Weight391.35 g/mol
Exact Mass390.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1-[(3-bromophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NC1CC2CCC1C2)C1CCCN(Cc2cccc(Br)c2)C1
InChIInChI=1S/C20H27BrN2O/c21-18-5-1-3-15(10-18)12-23-8-2-4-17(13-23)20(24)22-19-11-14-6-7-16(19)9-14/h1,3,5,10,14,16-17,19H,2,4,6-9,11-13H2,(H,22,24)
InChIKeyDNWKWGOMGBMAGF-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide
CID 43925877
1-[(3-bromophenyl)methyl]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917480
[1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2931967
1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919379
1-[(3-bromophenyl)methyl]-N-[[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917484
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(3-bromophenyl)methylsulfanyl]acetamide
CID 126190297
1-[(3-bromophenyl)methyl]-N-(3-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 43921642
1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 43923089
N-(3-bromophenyl)-1-[(4-bromophenyl)methyl]piperidine-3-carboxamide
CID 43919496
1-[(3-bromophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 43924508
1-[(3-bromophenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide
CID 43924958
1-[(3-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43920046

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-[(3-bromophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-[(3-bromophenyl)methyl]piperidine-3-carboxamide (CID 43921297) is N-(2-bicyclo[2.2.1]heptanyl)-1-[(3-bromophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1-[(3-bromophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1-[(3-bromophenyl)methyl]piperidine-3-carboxamide is O=C(NC1CC2CCC1C2)C1CCCN(Cc2cccc(Br)c2)C1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1-[(3-bromophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is DNWKWGOMGBMAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN2O/c21-18-5-1-3-15(10-18)12-23-8-2-4-17(13-23)20(24)22-19-11-14-6-7-16(19)9-14/h1,3,5,10,14,16-17,19H,2,4,6-9,11-13H2,(H,22,24).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1-[(3-bromophenyl)methyl]piperidine-3-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-1-[(3-bromophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-1-[(3-bromophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43921297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).