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

C16H23BrN2O — CID 106738889

IUPACN-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)NC(C)(C)c2ccc(Br)cc2)CCN1
InChIInChI=1S/C16H23BrN2O/c1-11-10-12(8-9-18-11)15(20)19-16(2,3)13-4-6-14(17)7-5-13/h4-7,11-12,18H,8-10H2,1-3H3,(H,19,20)
InChIKeyPSLKQESDFYPVKK-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.19
Rot. Bonds3

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

N-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide (PubChem CID 106738889) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide
PubChem CID106738889
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)NC(C)(C)c2ccc(Br)cc2)CCN1
InChIInChI=1S/C16H23BrN2O/c1-11-10-12(8-9-18-11)15(20)19-16(2,3)13-4-6-14(17)7-5-13/h4-7,11-12,18H,8-10H2,1-3H3,(H,19,20)
InChIKeyPSLKQESDFYPVKK-UHFFFAOYSA-N
XLogP3.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106738652
(2S,4S)-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide
CID 120644604
4-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 79511570
(2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide
CID 120630325
2-amino-N-[2-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 64822736
(2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide
CID 120645775
(2S,4S)-N-[4-(4-bromophenyl)butan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625464
(2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620445
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 106740207
N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide
CID 106740388
N-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide
CID 167913357
2-methyl-N-(2-methyl-2-phenylpropyl)piperidine-4-carboxamide
CID 106739532

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide (CID 106738889) is N-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide is CC1CC(C(=O)NC(C)(C)c2ccc(Br)cc2)CCN1.
What is the InChIKey of N-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide?
The InChIKey is PSLKQESDFYPVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-11-10-12(8-9-18-11)15(20)19-16(2,3)13-4-6-14(17)7-5-13/h4-7,11-12,18H,8-10H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide?
N-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106738889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).