N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide

C15H21BrN2O — CID 107068435

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N[C@H](C)c1ccccc1Br
InChIInChI=1S/C15H21BrN2O/c1-10-6-5-9-17-14(10)15(19)18-11(2)12-7-3-4-8-13(12)16/h3-4,7-8,10-11,14,17H,5-6,9H2,1-2H3,(H,18,19)/t10?,11-,14?/m1/s1
InChIKeyFOMAYRLBGWRRDE-IQLKVPPVSA-N
MW325.25 g/mol
LogP3.01
Rot. Bonds3

About N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide

N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide (PubChem CID 107068435) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide
PubChem CID107068435
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N[C@H](C)c1ccccc1Br
InChIInChI=1S/C15H21BrN2O/c1-10-6-5-9-17-14(10)15(19)18-11(2)12-7-3-4-8-13(12)16/h3-4,7-8,10-11,14,17H,5-6,9H2,1-2H3,(H,18,19)/t10?,11-,14?/m1/s1
InChIKeyFOMAYRLBGWRRDE-IQLKVPPVSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102777686
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914385
N-[(1S)-1-(2-bromophenyl)ethyl]azepane-2-carboxamide
CID 81397881
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
CID 102779169
N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
CID 43701759
N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067843
2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid
CID 107067870
2-amino-N-[1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 64823134
3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide
CID 107068069
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067368

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide (CID 107068435) is N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)N[C@H](C)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide?
The InChIKey is FOMAYRLBGWRRDE-IQLKVPPVSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-6-5-9-17-14(10)15(19)18-11(2)12-7-3-4-8-13(12)16/h3-4,7-8,10-11,14,17H,5-6,9H2,1-2H3,(H,18,19)/t10?,11-,14?/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide?
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107068435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).