N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide

C14H16BrClN2O2 — CID 103826810

IUPACN-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C14H16BrClN2O2/c1-9(19)17-13-2-4-18(5-3-13)14(20)10-6-11(15)8-12(16)7-10/h6-8,13H,2-5H2,1H3,(H,17,19)
InChIKeyOWCMQHKOYOJYII-UHFFFAOYSA-N
MW359.65 g/mol
LogP2.84
Rot. Bonds2

About N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide

N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide (PubChem CID 103826810) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide
PubChem CID103826810
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC NameN-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C14H16BrClN2O2/c1-9(19)17-13-2-4-18(5-3-13)14(20)10-6-11(15)8-12(16)7-10/h6-8,13H,2-5H2,1H3,(H,17,19)
InChIKeyOWCMQHKOYOJYII-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107940961
(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110407354
(3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107939965
(3-bromo-5-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103827075
N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide
CID 49347636
2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid
CID 107938177
(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107952466
(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 103826985
N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide
CID 115770342
3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468
1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 103826408
(3-bromo-5-chlorophenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 103827047

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide (CID 103826810) is N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1.
What is the InChIKey of N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide?
The InChIKey is OWCMQHKOYOJYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c1-9(19)17-13-2-4-18(5-3-13)14(20)10-6-11(15)8-12(16)7-10/h6-8,13H,2-5H2,1H3,(H,17,19).
What are the key properties of N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide?
N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide has a molecular weight of 359.65 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 103826810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).