N-[2-(2-bromophenyl)propan-2-yl]-1-methylpiperidine-4-carboxamide

C16H23BrN2O — CID 122156038

IUPACN-[2-(2-bromophenyl)propan-2-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC(C)(C)c2ccccc2Br)CC1
InChIInChI=1S/C16H23BrN2O/c1-16(2,13-6-4-5-7-14(13)17)18-15(20)12-8-10-19(3)11-9-12/h4-7,12H,8-11H2,1-3H3,(H,18,20)
InChIKeySVRGWKDDIRFEMT-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.14
Rot. Bonds3

About N-[2-(2-bromophenyl)propan-2-yl]-1-methylpiperidine-4-carboxamide

N-[2-(2-bromophenyl)propan-2-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 122156038) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)propan-2-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)propan-2-yl]-1-methylpiperidine-4-carboxamide
PubChem CID122156038
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-[2-(2-bromophenyl)propan-2-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC(C)(C)c2ccccc2Br)CC1
InChIInChI=1S/C16H23BrN2O/c1-16(2,13-6-4-5-7-14(13)17)18-15(20)12-8-10-19(3)11-9-12/h4-7,12H,8-11H2,1-3H3,(H,18,20)
InChIKeySVRGWKDDIRFEMT-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(2-naphthalen-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 122450635
N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
CID 110693521
1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide
CID 39594396
4-[2-(2-bromophenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122023622
2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 110837238
1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 175667703
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 56522986
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
(2R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-2-cyclopropyl-2-pyrrolidin-1-ylacetamide
CID 100701848
(3S)-N-[2-(4-chloro-2-phenylphenyl)propan-2-yl]-1-methylpiperidine-3-carboxamide
CID 122450616
tert-butyl 4-[[(2-bromobenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 29264674

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)propan-2-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2-bromophenyl)propan-2-yl]-1-methylpiperidine-4-carboxamide (CID 122156038) is N-[2-(2-bromophenyl)propan-2-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-bromophenyl)propan-2-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-bromophenyl)propan-2-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)NC(C)(C)c2ccccc2Br)CC1.
What is the InChIKey of N-[2-(2-bromophenyl)propan-2-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is SVRGWKDDIRFEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-16(2,13-6-4-5-7-14(13)17)18-15(20)12-8-10-19(3)11-9-12/h4-7,12H,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(2-bromophenyl)propan-2-yl]-1-methylpiperidine-4-carboxamide?
N-[2-(2-bromophenyl)propan-2-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)propan-2-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 122156038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).