1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide

C14H19BrN2O — CID 54989482

IUPAC1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1Cc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-10-5-6-12(14(16)18)9-17(10)8-11-3-2-4-13(15)7-11/h2-4,7,10,12H,5-6,8-9H2,1H3,(H2,16,18)
InChIKeyREFLMWRRKLAHIH-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.53
Rot. Bonds3

About 1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide

1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide (PubChem CID 54989482) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide
PubChem CID54989482
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1Cc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-10-5-6-12(14(16)18)9-17(10)8-11-3-2-4-13(15)7-11/h2-4,7,10,12H,5-6,8-9H2,1H3,(H2,16,18)
InChIKeyREFLMWRRKLAHIH-UHFFFAOYSA-N
XLogP2.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(hydrazinecarbonyl)phenyl]methyl]-6-methylpiperidine-3-carboxamide
CID 63585615
1-[(3-amino-4-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 115557109
(3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 95313879
4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine
CID 130992812
1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide
CID 65338326
(3R,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide
CID 95621691
(3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide
CID 95621689
1-[(3-bromo-4-fluorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084066
(3S,6S)-6-methyl-1-[(5-nitrothiophen-3-yl)methyl]piperidine-3-carboxamide
CID 95308262
6-methyl-1-[[3-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 122124445
(3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide
CID 95302032
1-[[2-(aminomethyl)-3-pyridinyl]methyl]-6-methylpiperidine-3-carboxamide
CID 62894836

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide (CID 54989482) is 1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1Cc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is REFLMWRRKLAHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-5-6-12(14(16)18)9-17(10)8-11-3-2-4-13(15)7-11/h2-4,7,10,12H,5-6,8-9H2,1H3,(H2,16,18).
What are the key properties of 1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide?
1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 54989482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).