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

C17H23BrN2O2 — CID 113002415

IUPAC1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(=O)Cc2ccccc2Br)CC1
InChIInChI=1S/C17H23BrN2O2/c1-2-9-19-17(22)13-7-10-20(11-8-13)16(21)12-14-5-3-4-6-15(14)18/h3-6,13H,2,7-12H2,1H3,(H,19,22)
InChIKeyGKWMFKFDMFCVNI-UHFFFAOYSA-N
MW367.29 g/mol
LogP2.76
Rot. Bonds5

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

1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide (PubChem CID 113002415) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide
PubChem CID113002415
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(=O)Cc2ccccc2Br)CC1
InChIInChI=1S/C17H23BrN2O2/c1-2-9-19-17(22)13-7-10-20(11-8-13)16(21)12-14-5-3-4-6-15(14)18/h3-6,13H,2,7-12H2,1H3,(H,19,22)
InChIKeyGKWMFKFDMFCVNI-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone
CID 112536864
1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide
CID 55718134
2-(2-bromophenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002935
N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005543
1-[2-(4-methoxyphenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002396
2-[3-[4-(butylcarbamoyl)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 120691836
2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 83749694
1-acetyl-N-[2-(2-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 110672379
N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide
CID 115150493
2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 112991009
1-[2-(2-fluorophenyl)acetyl]-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 113004677
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide (CID 113002415) is 1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(C(=O)Cc2ccccc2Br)CC1.
What is the InChIKey of 1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is GKWMFKFDMFCVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-2-9-19-17(22)13-7-10-20(11-8-13)16(21)12-14-5-3-4-6-15(14)18/h3-6,13H,2,7-12H2,1H3,(H,19,22).
What are the key properties of 1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide?
1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 367.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 113002415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).