1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide

C18H25BrN2O2 — CID 113002779

IUPAC1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C18H25BrN2O2/c1-13(2)12-20-18(23)15-7-9-21(10-8-15)17(22)11-14-3-5-16(19)6-4-14/h3-6,13,15H,7-12H2,1-2H3,(H,20,23)
InChIKeyLFFOTPQRDFNCES-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.00
Rot. Bonds5

About 1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide

1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 113002779) has the molecular formula C18H25BrN2O2 and a molecular weight of 381.31 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID113002779
Molecular FormulaC18H25BrN2O2
Molecular Weight381.31 g/mol
Exact Mass380.11
IUPAC Name1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C18H25BrN2O2/c1-13(2)12-20-18(23)15-7-9-21(10-8-15)17(22)11-14-3-5-16(19)6-4-14/h3-6,13,15H,7-12H2,1-2H3,(H,20,23)
InChIKeyLFFOTPQRDFNCES-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 112536855
2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537586
4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145333
1-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110817436
N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]acetamide
CID 49348733
[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid
CID 154997701
2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 51942616
1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide
CID 51218966
methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate
CID 110754077
1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 762838
1-[2-(4-methoxyphenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002396
1-[2-(4-aminophenyl)acetyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119759278

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide (CID 113002779) is 1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CNC(=O)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is LFFOTPQRDFNCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O2/c1-13(2)12-20-18(23)15-7-9-21(10-8-15)17(22)11-14-3-5-16(19)6-4-14/h3-6,13,15H,7-12H2,1-2H3,(H,20,23).
What are the key properties of 1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 381.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 113002779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).